options

Functions and Loops

41 loops and 100 functions have been discarded from the report because their coverage is lower than the threshold set by object_coverage_threshold (0.01%). It represents about 0% of the application. To include them, change the value of object_coverage_threshold in the experiment directory configuration file, then rerun the command with the additionnal parameter --force-static-analysis

▼Colums Filter

Coverage 1x1 (%) Max Time Over Threads 1x1 (s) Time w.r.t. Wall Time 1x1 (s) Nb Threads 1x1 Deviation (coverage) 1x1 Deviation (walltime) 1x1 Categories 1x1 Compilation Options
NameModuleCoverage 1x1 (%)Max Time Over Threads 1x1 (s)Time w.r.t. Wall Time 1x1 (s)Nb Threads 1x1Deviation (coverage) 1x1Deviation (walltime) 1x1Categories 1x1Compilation Options
►nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)+libgromacs.so.814.0228.0128.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 1727 - stl_iterator.h:806-887 - libgromacs.so.8 [...]+0.681.361.3610.000.00
○Loop 1732 - kernel_outer.h:431-431 - libgromacs.so.8 [...]8.617.1817.1810.000.00
○Loop 1730 - kernel_outer.h:452-452 - libgromacs.so.8 [...]3.547.087.0810.000.00
○Loop 1733 - kernel_outer.h:423-426 - libgromacs.so.8 [...]0.50.990.9910.000.00
○Loop 1731 - kernel_outer.h:444-447 - libgromacs.so.8 [...]0.330.670.6710.000.00
○Loop 1728 - kernel_outer.h:473-473 - libgromacs.so.8 [...]0.310.620.6210.000.00
○Loop 1729 - kernel_outer.h:465-468 - libgromacs.so.8 [...]0.050.10.110.000.00
○std::array<gmx::SimdFloat, 4> gmx::CoulombCalculator<(gmx::KernelCoulombType)1>::force<4>(std::array<gmx::SimdFloat, 4> const&, std::array<gmx::SimdFloat, 4> const&, std::array<gmx::SimdFloat, 4> const&, std:...libgromacs.so.811.0322.0222.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)+libgromacs.so.85.3410.6610.6610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 1735 - kernel_outer.h:222-515 - libgromacs.so.8 [...]+0.160.320.3210.000.00
►Loop 1760 - kernel_outer.h:431-431 - libgromacs.so.8 [...]+2.24.394.3910.000.00
○Loop 1759 - kernel_inner.h:425-427 - libgromacs.so.8 [...]0.490.980.9810.000.00
○Loop 1758 - kernel_inner.h:421-423 - libgromacs.so.8 [...]0.230.460.4610.000.00
○Loop 1756 - kernel_inner.h:323-326 - libgromacs.so.8 [...]0.190.370.3710.000.00
○Loop 1757 - kernel_inner.h:366-368 - libgromacs.so.8 [...]0.190.370.3710.000.00
►Loop 1749 - kernel_outer.h:452-452 - libgromacs.so.8 [...]+0.460.910.9210.000.00
○Loop 1748 - kernel_inner.h:421-423 - libgromacs.so.8 [...]0.460.910.9110.000.00
○Loop 1746 - kernel_inner.h:366-368 - libgromacs.so.8 [...]0.250.490.4910.000.00
○Loop 1747 - kernel_inner.h:393-395 - libgromacs.so.8 [...]0.110.220.2210.000.00
○Loop 1745 - kernel_inner.h:323-326 - libgromacs.so.8 [...]0.070.130.1310.000.00
►Loop 1766 - kernel_outer.h:423-426 - libgromacs.so.8 [...]+0.140.270.2710.000.00
○Loop 1763 - kernel_inner.h:366-368 - libgromacs.so.8 [...]0.020.030.0310.000.00
○Loop 1765 - kernel_inner.h:425-427 - libgromacs.so.8 [...]0.020.030.0310.000.00
○Loop 1764 - kernel_inner.h:421-423 - libgromacs.so.8 [...]0.010.020.0210.000.00
○Loop 1761 - kernel_inner.h:293-295 - libgromacs.so.8 [...]0.010.010.0110.000.00
○Loop 1762 - kernel_inner.h:323-326 - libgromacs.so.8 [...]00010.000.00
►Loop 1755 - kernel_outer.h:444-447 - libgromacs.so.8 [...]+0.060.120.1210.000.00
○Loop 1754 - kernel_inner.h:421-423 - libgromacs.so.8 [...]0.050.10.110.000.00
○Loop 1752 - kernel_inner.h:366-368 - libgromacs.so.8 [...]0.030.060.0610.000.00
○Loop 1751 - kernel_inner.h:323-326 - libgromacs.so.8 [...]0.030.060.0610.000.00
○Loop 1753 - kernel_inner.h:393-395 - libgromacs.so.8 [...]0.020.040.0410.000.00
○Loop 1750 - kernel_inner.h:293-295 - libgromacs.so.8 [...]0.010.010.0110.000.00
►Loop 1739 - kernel_outer.h:473-473 - libgromacs.so.8 [...]+0.050.10.110.000.00
○Loop 1737 - kernel_inner.h:393-395 - libgromacs.so.8 [...]0.020.040.0410.000.00
○Loop 1736 - kernel_inner.h:323-326 - libgromacs.so.8 [...]0.020.030.0310.000.00
○Loop 1738 - kernel_inner.h:432-434 - libgromacs.so.8 [...]0.010.010.0110.000.00
○Loop 1734 - kernel_outer.h:358-361 - libgromacs.so.8 [...]0.030.060.0610.000.00
►Loop 1744 - kernel_outer.h:465-468 - libgromacs.so.8 [...]+0.010.010.0110.000.00
○Loop 1741 - kernel_inner.h:323-326 - libgromacs.so.8 [...]0.010.010.0110.000.00
○Loop 1740 - kernel_inner.h:293-295 - libgromacs.so.8 [...]00010.000.00
○Loop 1743 - kernel_inner.h:432-434 - libgromacs.so.8 [...]00000.000.00
○Loop 1742 - kernel_inner.h:393-395 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#41}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.84.689.359.3510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#45}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.84.619.29.210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL4c3d769b::spread_coefficients_bsplines_thread(pmegrid_t const*, PmeAtomComm const*, splinedata_t*, pme_spline_work*)+libgromacs.so.82.665.315.3210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 26516 - pme_spread.cpp:331-400 - libgromacs.so.8 [...]+2.665.315.3210.000.00
○Loop 26515 - pme_simd4.h:138-140 - libgromacs.so.8 [...]00000.000.00
►Loop 26518 - pme_spread.cpp:332-400 - libgromacs.so.8 [...]+00000.000.00
►Loop 26517 - pme_spread.cpp:332-400 - libgromacs.so.8 [...]+00000.000.00
○Loop 26522 - pme_spread.cpp:400-400 - libgromacs.so.800000.000.00
○Loop 26520 - pme_spread.cpp:400-400 - libgromacs.so.800000.000.00
○Loop 26519 - pme_spread.cpp:400-400 - libgromacs.so.800000.000.00
○Loop 26521 - pme_spread.cpp:400-400 - libgromacs.so.800000.000.00
○Loop 26523 - pme_spread.cpp:351-353 - libgromacs.so.800000.000.00
○Loop 26524 - pme_spread.cpp:351-353 - libgromacs.so.800000.000.00
○Unknown functionlibgromacs.so.82.555.15.110.000.00libgromacs.so.8 (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#48}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.82.525.045.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○void gmx::CoulombCalculator<(gmx::KernelCoulombType)1>::forceAndCorrectionEnergy<4, 4ul>(std::array<gmx::SimdFloat, 4> const&, std::array<gmx::SimdFloat, 4> const&, std::array<gmx::SimdFloat, 4> const&, std::array&...libgromacs.so.82.474.934.9310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#50}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.82.344.674.6710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#62}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.82.264.524.5210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#42}>(nbnxm_kernel_ElecE...libgromacs.so.81.93.793.7910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#105}>(nbnxm_kernel_ElecEw_V...libgromacs.so.81.63.193.1910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)+libgromacs.so.81.593.183.1810.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 26128 - pme_gather.cpp:76-348 - libgromacs.so.8 [...]+0.841.681.6810.000.00
○Loop 26127 - pme_gather.cpp:156-169 - libgromacs.so.8 [...]0.751.51.510.000.00
►Loop 26132 - pme_gather.cpp:103-124 - libgromacs.so.8+00000.000.00
►Loop 26131 - pme_gather.cpp:109-124 - libgromacs.so.8+00000.000.00
○Loop 26135 - pme_gather.cpp:116-120 - libgromacs.so.800000.000.00
○Loop 26133 - pme_gather.cpp:116-120 - libgromacs.so.800000.000.00
○Loop 26136 - pme_gather.cpp:116-120 - libgromacs.so.800000.000.00
○Loop 26134 - pme_gather.cpp:116-120 - libgromacs.so.800000.000.00
►Loop 26130 - pme_gather.cpp:247-255 - libgromacs.so.8 [...]+00000.000.00
○Loop 26129 - pme_gather.cpp:253-255 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#101}>(nbnxm_kernel_ElecEw_V...libgromacs.so.81.482.962.9610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#38}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.81.392.782.7810.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#108}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.951.891.8910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL51e532c6::gmx::lincs_matrix_expand(_INTERNAL51e532c6::gmx::Lincs const&, (anonymous namespace)::Task const&, _INTERNAL51e532c6::gmx::ArrayRef<float const>, _INTERNAL51e532c6::gmx::ArrayRef<float>, _INTERNAL51e532c6::gmx::ArrayR...+libgromacs.so.80.931.851.8510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 23146 - lincs.cpp:328-348 - libgromacs.so.8 [...]+00000.000.00
►Loop 23147 - lincs.cpp:330-348 - libgromacs.so.8 [...]+00000.000.00
○Loop 23148 - lincs.cpp:340-344 - libgromacs.so.8 [...]00000.000.00
○Loop 23150 - lincs.cpp:340-344 - libgromacs.so.8 [...]00000.000.00
○Loop 23149 - lincs.cpp:340-344 - libgromacs.so.800000.000.00
►Loop 23151 - lincs.cpp:278-295 - libgromacs.so.8 [...]+00000.000.00
►Loop 23152 - lincs.cpp:284-295 - libgromacs.so.8+0.270.530.5310.000.00
○Loop 23153 - lincs.cpp:290-292 - libgromacs.so.80.661.321.3210.000.00
○Loop 23154 - lincs.cpp:290-292 - libgromacs.so.800000.000.00
○Loop 23155 - lincs.cpp:290-292 - libgromacs.so.800000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#110}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.861.711.7110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL4c3d769b::make_bsplines(float**, float**, int, float (*) [3], int, int const*, float const*, bool)+libgromacs.so.80.811.621.6210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 26504 - pme_spread.cpp:275-292 - libgromacs.so.8 [...]+0.811.621.6210.000.00
►Loop 26505 - pme_spread.cpp:292-292 - libgromacs.so.8+00000.000.00
○Loop 26506 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.00
○Loop 26510 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.00
○Loop 26509 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.00
○Loop 26507 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.00
○Loop 26511 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.00
○Loop 26508 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.00
►Loop 26512 - pme_spread.cpp:292-292 - libgromacs.so.8+00000.000.00
○Loop 26513 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.00
○Loop 26514 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.00
○Loop 26503 - pme_spread.cpp:291-291 - libgromacs.so.800000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#65}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.81.591.5910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#122}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.781.561.5710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#47}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.761.511.5110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+libgromacs.so.80.761.521.5210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 4143 - kernel_prune.cpp:76-176 - libgromacs.so.8 [...]+0.010.010.0110.000.00
○Loop 4144 - kernel_prune.cpp:115-169 - libgromacs.so.8 [...]0.751.51.510.000.00
►_INTERNAL0808fbd2::makeClusterListSimd4xn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)+libgromacs.so.80.661.311.3110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 7338 - pairlist_simd_4xm.h:136-195 - libgromacs.so.8 [...]0.430.850.8510.000.00
○Loop 7337 - pairlist_simd_4xm.h:204-262 - libgromacs.so.8 [...]0.130.260.2610.000.00
○Loop 7336 - pairlist_simd_4xm.h:268-273 - libgromacs.so.8 [...]0.020.040.0410.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#98}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.631.261.2610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#102}>(nbnxm_kernel_Elec...libgromacs.so.80.631.251.2510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○void gmx::LennardJonesCalculator<false, (InteractionModifiers)1>::forceSigmaEpsilon<2, false, false, 4ul, 0ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool*, std::array&...libgromacs.so.80.561.121.1210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_codelet_n1fv_16_sse2libfftw3f.so.3.5.50.561.121.1210.000.00Math (%): 100.00
○std::array<gmx::SimdFloat, 4ul>::array()libgromacs.so.80.551.091.0910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►void _INTERNAL0808fbd2::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...+libgromacs.so.80.531.071.0710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 7309 - pairlist.cpp:2323-3625 - libgromacs.so.8 [...]+00010.000.00
►Loop 7310 - pairlist.cpp:2323-3618 - libgromacs.so.8 [...]+00010.000.00
►Loop 7311 - pairlist.cpp:2323-3618 - libgromacs.so.8 [...]+00000.000.00
►Loop 7312 - pairlist.cpp:2323-3618 - libgromacs.so.8 [...]+0.010.010.0110.000.00
►Loop 7313 - pairlist.cpp:3073-3587 - libgromacs.so.8 [...]+0.020.040.0410.000.00
►Loop 7314 - pairlist.cpp:3073-3587 - libgromacs.so.8 [...]+0.20.40.410.000.00
○Loop 7315 - pairlist.cpp:3520-3524 - libgromacs.so.80.240.480.4810.000.00
○Loop 7316 - pairlist.cpp:3505-3509 - libgromacs.so.80.060.110.1110.000.00
○Loop 7308 - pairlist.cpp:268-3246 - libgromacs.so.8 [...]00000.000.00
○Loop 7307 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○Loop 7317 - pairlist.cpp:2998-3000 - libgromacs.so.800000.000.00
○Loop 7318 - pairlist.cpp:2998-3000 - libgromacs.so.800000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#39}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.521.041.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#44}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.460.910.9110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#41}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.450.890.8910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#40}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.440.880.8810.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#45}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.440.870.8710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►__intel_avx_rep_memcpy+gmx0.430.850.8510.000.00Memory (%): 100.00
○Loop 70 - - gmx0.270.540.5410.000.00
○Loop 69 - - gmx00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#67}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.430.850.8510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○void gmx::LennardJonesCalculator<true, (InteractionModifiers)1>::forceSigmaEpsilon<2, false, false, 4ul, 0ul, 2ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool*, std::array&l...libgromacs.so.80.420.840.8410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4ul>::operator[](unsigned long)libgromacs.so.80.40.80.810.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#64}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.40.80.810.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○_INTERNALad76a5e0::(anonymous namespace)::dih_angle_simd(float const (*) [3], int const*, int const*, int const*, int const*, float const*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat...libgromacs.so.80.360.710.7110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►void _INTERNALf917ce76::do_pairs_simple<gmx::SimdFloat, 8, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float const>, float)+libgromacs.so.80.360.720.7210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 25904 - pairs.cpp:863-894 - libgromacs.so.8 [...]0.360.720.7210.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#66}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.360.710.7110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○void gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 4> const&...libgromacs.so.80.350.70.710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#63}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.340.670.6710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#54}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.340.690.6910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#62}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.330.650.6510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#125}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.330.660.6610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs.so.80.330.670.6710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 26373 - pme_solve.cpp:97-560 - libgromacs.so.8 [...]+0.060.120.1210.000.00
○Loop 26379 - pme_solve.cpp:233-237 - libgromacs.so.8 [...]0.060.120.1210.000.00
○Loop 26389 - pme_solve.cpp:498-510 - libgromacs.so.80.040.080.0810.000.00
○Loop 26375 - pme_solve.cpp:554-560 - libgromacs.so.80.040.070.0710.000.00
○Loop 26401 - pme_solve.cpp:456-469 - libgromacs.so.80.040.080.0810.000.00
○Loop 26402 - pme_solve.cpp:440-453 - libgromacs.so.80.040.070.0710.000.00
○Loop 26385 - pme_solve.cpp:521-530 - libgromacs.so.80.030.050.0510.000.00
○Loop 26381 - pme_solve.cpp:533-542 - libgromacs.so.80.020.040.0410.000.00
○Loop 26395 - pme_solve.cpp:233-237 - libgromacs.so.8 [...]0.010.010.0110.000.00
○Loop 26392 - pme_solve.cpp:485-495 - libgromacs.so.80.010.010.0110.000.00
○Loop 26380 - pme_solve.cpp:533-542 - libgromacs.so.800000.000.00
○Loop 26377 - pme_solve.cpp:554-560 - libgromacs.so.800000.000.00
○Loop 26391 - pme_solve.cpp:485-495 - libgromacs.so.800000.000.00
○Loop 26388 - pme_solve.cpp:498-510 - libgromacs.so.800000.000.00
○Loop 26393 - pme_solve.cpp:485-495 - libgromacs.so.800000.000.00
○Loop 26383 - pme_solve.cpp:533-542 - libgromacs.so.800000.000.00
○Loop 26398 - pme_solve.cpp:472-474 - libgromacs.so.800000.000.00
○Loop 26394 - pme_solve.cpp:485-495 - libgromacs.so.800000.000.00
○Loop 26387 - pme_solve.cpp:521-530 - libgromacs.so.800000.000.00
○Loop 26400 - pme_solve.cpp:472-474 - libgromacs.so.800000.000.00
○Loop 26374 - pme_solve.cpp:554-560 - libgromacs.so.800000.000.00
○Loop 26399 - pme_solve.cpp:472-474 - libgromacs.so.800000.000.00
○Loop 26382 - pme_solve.cpp:533-542 - libgromacs.so.800000.000.00
○Loop 26378 - pme_solve.cpp:554-560 - libgromacs.so.800000.000.00
○Loop 26376 - pme_solve.cpp:554-560 - libgromacs.so.800000.000.00
○Loop 26390 - pme_solve.cpp:498-510 - libgromacs.so.800000.000.00
○Loop 26386 - pme_solve.cpp:521-530 - libgromacs.so.800000.000.00
○Loop 26384 - pme_solve.cpp:521-530 - libgromacs.so.800000.000.00
○Loop 26396 - pme_solve.cpp:472-474 - libgromacs.so.800000.000.00
○Loop 26397 - pme_solve.cpp:472-474 - libgromacs.so.800000.000.00
○fftwf_codelet_n2fv_10_avxlibfftw3f.so.3.5.50.320.650.6510.000.00Math (%): 100.00
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALad76a5e0::(anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...+libgromacs.so.80.310.610.6110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 25605 - bonded.cpp:1151-1255 - libgromacs.so.8 [...]0.310.610.6110.000.00
►_INTERNAL51e532c6::gmx::lincs_update_atoms_noind(int, _INTERNAL51e532c6::gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float, _INTERNAL51e532c6::gmx::ArrayRef<float const>, _INTERNAL51e532c6::gmx::ArrayRef<_INTERNAL51e532c6::gmx::Bas...+libgromacs.so.80.310.610.6110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23158 - lincs.cpp:376-391 - libgromacs.so.80.310.610.6110.000.00
○Loop 23157 - lincs.cpp:396-409 - libgromacs.so.8 [...]00000.000.00
►__intel_avx_rep_memset+gmx0.310.620.6210.000.00Memory (%): 100.00
○Loop 71 - - gmx00000.000.00
○fftwf_codelet_hc2cbdftv_2_sse2libfftw3f.so.3.5.50.30.590.5910.000.00Math (%): 100.00
►void _INTERNAL4936ffde::gmx::settleTemplate<_INTERNAL4936ffde::gmx::SimdFloat, _INTERNAL4936ffde::gmx::SimdFBool, 8, float const*, true, false>(_INTERNAL4936ffde::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*...+libgromacs.so.80.290.590.5910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23721 - settle.cpp:425-651 - libgromacs.so.8 [...]0.290.590.5910.000.00
○void gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, false, 4ul, 0ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 4> const...libgromacs.so.80.290.580.5810.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_codelet_hc2cfdftv_2_sse2libfftw3f.so.3.5.50.270.540.5410.000.00Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#46}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.270.540.5410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL4c3d769b::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int)+libgromacs.so.80.270.530.5310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 26483 - pme_spread.cpp:104-133 - libgromacs.so.8 [...]0.270.530.5310.000.00
○Loop 26474 - pme_spread.cpp:104-145 - libgromacs.so.8 [...]00000.000.00
○Loop 26479 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
○Loop 26477 - vector.tcc:589-589 - libgromacs.so.8 [...]00000.000.00
○Loop 26484 - pme_spread.cpp:96-98 - libgromacs.so.800000.000.00
○Loop 26480 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
○Loop 26478 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
○Loop 26476 - pme_spread.cpp:165-167 - libgromacs.so.800000.000.00
○Loop 26475 - pme_spread.cpp:172-174 - libgromacs.so.800000.000.00
○Loop 26481 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
○Loop 26482 - pme_spread.cpp:154-156 - libgromacs.so.800000.000.00
○fftwf_cpy2dlibfftw3f.so.3.5.50.260.530.5210.000.00Math (%): 100.00
○fftwf_codelet_n1bv_16_sse2libfftw3f.so.3.5.50.250.510.5110.000.00Math (%): 100.00
○fftwf_codelet_t2fv_4_avxlibfftw3f.so.3.5.50.250.490.4910.000.00Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#48}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.250.50.510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#107}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.240.470.4710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#161}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.230.460.4610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_codelet_n1bv_11_avxlibfftw3f.so.3.5.50.220.450.4510.000.00Math (%): 100.00
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#42}>(nbnxm_kernel_Elec...libgromacs.so.80.220.440.4410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○void _INTERNAL4936ffde::gmx::__regcall3__gatherLoadUTranspose<3>(float const*, int const*, _INTERNAL4936ffde::gmx::SimdFloat*, _INTERNAL4936ffde::gmx::SimdFloat*, _INTERNAL4936ffde::gmx::SimdFloat*)libgromacs.so.80.220.440.4410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL51e532c6::gmx::do_lincs(_INTERNAL51e532c6::gmx::ArrayRefWithPadding<_INTERNAL51e532c6::gmx::BasicVector<float> const>, _INTERNAL51e532c6::gmx::ArrayRefWithPadding<_INTERNAL51e532c6::gmx::BasicVector<float> >, float const (*...+libgromacs.so.80.220.450.4510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 23144 - lincs.cpp:1133-1137 - libgromacs.so.8 [...]+0.060.120.1210.000.00
○Loop 23145 - lincs.cpp:1135-1137 - libgromacs.so.8 [...]0.140.270.2710.000.00
○Loop 23143 - lincs.cpp:1146-1146 - libgromacs.so.8 [...]0.010.020.0210.000.00
○Loop 23136 - lincs.cpp:1265-1273 - libgromacs.so.8 [...]0.010.010.0110.000.00
►Loop 23141 - lincs.cpp:1171-1223 - libgromacs.so.8 [...]+00000.000.00
○Loop 23142 - lincs.cpp:1205-1205 - libgromacs.so.8 [...]0.010.010.0110.000.00
○Loop 23138 - lincs.cpp:1252-1257 - libgromacs.so.800000.000.00
○Loop 23137 - lincs.cpp:1252-1257 - libgromacs.so.800000.000.00
○Loop 23139 - lincs.cpp:1252-1257 - libgromacs.so.800000.000.00
○Loop 23140 - lincs.cpp:1243-1245 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#99}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.210.410.4110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_codelet_n1fv_11_avxlibfftw3f.so.3.5.50.210.430.4310.000.00Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#71}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.20.390.3910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4ul>::operator[](unsigned long) constlibgromacs.so.80.20.390.3910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#67}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.20.390.3910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#59}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.20.390.3910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL37e9a09f::energyDrift(gmx::ArrayRef<VerletbufAtomtype const>, gmx_ffparams_t const*, float, pot_derivatives_t const*, pot_derivatives_t const*, pot_derivatives_t const*, float, float, float, int, float)+libgromacs.so.80.190.370.3710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 22263 - calc_verletbuf.cpp:531-723 - libgromacs.so.8 [...]+00000.000.00
○Loop 22264 - calc_verletbuf.cpp:531-723 - libgromacs.so.8 [...]0.190.370.3710.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#105}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.190.380.3810.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#60}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.190.370.3710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#165}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.190.370.3710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○void gmx::LennardJonesCalculator<false, (InteractionModifiers)1>::forceSigmaEpsilon<4, false, false, 4ul, 0ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool*, std::array&...libgromacs.so.80.180.350.3510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#11}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.180.350.3510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALad76a5e0::(anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc con...+libgromacs.so.80.180.360.3510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 25615 - bonded.cpp:2059-2126 - libgromacs.so.8 [...]0.180.360.3510.000.00
○_INTERNALad76a5e0::(anonymous namespace)::__regcall3__do_dih_fup_noshiftf_simd(int const*, int const*, int const*, int const*, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, f...libgromacs.so.80.180.360.3610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL51e532c6::gmx::__regcall3__calc_dr_x_xp_simd(int, int, _INTERNAL51e532c6::gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float const (*) [3], float const (*) [3], float const*, float const*, float const*, float (*) [3], float*, floa...+libgromacs.so.80.170.340.3410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23161 - lincs.cpp:845-875 - libgromacs.so.8 [...]0.170.340.3410.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#124}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.170.330.3310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#38}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.170.340.3410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#101}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.170.330.3310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_codelet_t2bv_4_avxlibfftw3f.so.3.5.50.170.330.3310.000.00Math (%): 100.00
►std::enable_if<std::is_same<float [3], float [3]>::value||std::is_same<float [3], float const [3]>::value, void>::type _INTERNAL3858d692::updateMDLeapfrogSimpleSimd<(StoreUpdatedVelocities)0, (NumTempScaleValues)0, float [3]>(int, i...+libgromacs.so.80.160.320.3210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23961 - update.cpp:486-486 - libgromacs.so.8 [...]0.160.320.3210.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#15}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.160.310.3110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#100}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.160.310.3110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#55}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.160.310.3110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#126}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.160.320.3210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#75}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.150.290.2910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_codelet_n2bv_10_avxlibfftw3f.so.3.5.50.150.30.310.000.00Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#123}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.150.290.2910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#114}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.140.270.2710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#122}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.130.250.2510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_codelet_t1bv_7_avxlibfftw3f.so.3.5.50.130.250.2510.000.00Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#104}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.130.250.2510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#127}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.130.260.2610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#53}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.130.260.2610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*...libgromacs.so.80.120.240.2410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#1}>(nbnxm_kernel_ElecEw_Vdw...libgromacs.so.80.120.230.2310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALad76a5e0::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3],...+libgromacs.so.80.120.230.2310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 25684 - bonded.cpp:129-2011 - libgromacs.so.8 [...]+0.110.220.2210.000.00
○Loop 25685 - bonded.cpp:1914-2008 - libgromacs.so.8 [...]00010.000.00
►float _INTERNALf917ce76::do_pairs_general<(BondedKernelFlavor)2>(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef<float const>, gmx::ArrayRef<float c...+libgromacs.so.80.120.230.2310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 25906 - pairs.cpp:125-824 - libgromacs.so.8 [...]0.120.230.2310.000.00
○Loop 25905 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
►copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)+libgromacs.so.80.110.220.2210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 6278 - atomdata.cpp:226-236 - libgromacs.so.80.110.220.2210.000.00
○Loop 6274 - atomdata.cpp:172-176 - libgromacs.so.800000.000.00
○Loop 6272 - atomdata.cpp:180-184 - libgromacs.so.800000.000.00
○Loop 6279 - atomdata.cpp:207-217 - libgromacs.so.800000.000.00
○Loop 6273 - atomdata.cpp:180-184 - libgromacs.so.800000.000.00
○Loop 6266 - atomdata.cpp:161-165 - libgromacs.so.800000.000.00
○Loop 6280 - atomdata.cpp:193-203 - libgromacs.so.800000.000.00
○Loop 6281 - atomdata.cpp:193-203 - libgromacs.so.800000.000.00
○Loop 6265 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○Loop 6275 - atomdata.cpp:172-182 - libgromacs.so.8 [...]00000.000.00
○Loop 6267 - atomdata.cpp:161-163 - libgromacs.so.800000.000.00
○Loop 6277 - atomdata.cpp:226-236 - libgromacs.so.800000.000.00
○Loop 6268 - atomdata.cpp:161-165 - libgromacs.so.800000.000.00
○Loop 6271 - atomdata.cpp:180-184 - libgromacs.so.800000.000.00
○Loop 6270 - atomdata.cpp:154-163 - libgromacs.so.800000.000.00
○Loop 6276 - atomdata.cpp:240-250 - libgromacs.so.800000.000.00
○Loop 6269 - atomdata.cpp:154-158 - libgromacs.so.800000.000.00
►pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*)+libgromacs.so.80.110.220.2210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 10291 - pbc.cpp:1001-1018 - libgromacs.so.8 [...]00000.000.00
○Loop 10289 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○Loop 10290 - pbc.cpp:911-921 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*...libgromacs.so.80.110.220.2210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#120}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.110.220.2210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○_INTERNAL507e9979::gmx::SimdFloat _INTERNAL507e9979::gmx::__regcall3__exp<(MathOptimization)0>(_INTERNAL507e9979::gmx::SimdFloat)libgromacs.so.80.110.220.2210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#20}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.110.220.2210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*)libgromacs.so.80.10.190.1910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#182}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.10.20.210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#106}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.10.190.1910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#18}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.10.20.210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#66}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.090.170.1710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL0808fbd2::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, gmx::ListOfLists<int> const&)+libgromacs.so.80.090.180.1810.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 7347 - pairlist.cpp:1330-1430 - libgromacs.so.8 [...]+0.020.030.0310.000.00
►Loop 7348 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]+0.060.110.1110.000.00
○Loop 7349 - pairlist.cpp:1341-1357 - libgromacs.so.8 [...]0.020.040.0410.000.00
○Loop 7350 - pairlist.cpp:1279-1282 - libgromacs.so.800000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#115}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.090.170.1710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►clearForceBuffer(nbnxn_atomdata_t*, int)+libgromacs.so.80.090.180.1810.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 6781 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]0.090.180.1810.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#168}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.090.170.1710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○__libm_exp_l9libgromacs.so.80.090.170.1710.000.00libgromacs.so.8 (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#78}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.090.170.1710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#108}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.090.170.1710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#32}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.090.180.1810.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL423d7b8c::nbnxn_atomdata_add_nbat_f_to_f_part(Nbnxm::GridSet const&, nbnxn_atomdata_t const&, nbnxn_atomdata_output_t const&, int, int, float (*) [3])+libgromacs.so.80.090.180.1810.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 6286 - atomdata.cpp:1142-1148 - libgromacs.so.8 [...]0.090.180.1810.000.00
○Loop 6287 - atomdata.cpp:1132-1138 - libgromacs.so.8 [...]00000.000.00
○Loop 6285 - atomdata.cpp:1122-1128 - libgromacs.so.800000.000.00
○Loop 6284 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○__libm_atan2f_l9libgromacs.so.80.090.170.1710.000.00libgromacs.so.8 (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*...libgromacs.so.80.080.160.1610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#65}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.080.160.1610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#162}>(nbnxm_kernel_Elec...libgromacs.so.80.080.150.1510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#98}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.080.150.1510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#80}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.080.150.1510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#119}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.080.150.1510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_rdft2_buffered_registerlibfftw3f.so.3.5.50.080.160.1610.000.00Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#158}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.080.150.1510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::enable_if<(true)&&(((KernelLayout)0)==((KernelLayout)0)), std::array<gmx::SimdFBool, 4ul> >::type gmx::loadSimdPairInteractionMasks<true, (KernelLayout)0>(int, gmx::SimdFInt32*)libgromacs.so.80.080.150.1510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#4}>(nbnxm_kernel_ElecEw_Vdw...libgromacs.so.80.080.160.1610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#47}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.080.150.1510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#64}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.080.150.1510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#102}>(nbnxm_kernel_Ele...libgromacs.so.80.080.160.1610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#8}>(nbnxm_kernel_ElecEw_Vdw...libgromacs.so.80.080.150.1510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#2}>(nbnxm_kernel_ElecEw_Vdw...libgromacs.so.80.080.150.1510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#167}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.070.130.1310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#68}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.070.130.1310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#12}>(nbnxm_kernel_ElecE...libgromacs.so.80.070.130.1310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►finish_update#0x13839f8+libgromacs.so.80.070.130.1310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23963 - update.cpp:1660-1664 - libgromacs.so.8 [...]0.070.130.1310.000.00
►_INTERNAL1153a3b6::setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*)+libgromacs.so.80.070.130.1310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23785 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]0.050.10.110.000.00
○Loop 23783 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]0.010.020.0210.000.00
○Loop 23784 - iterator_interface.hpp:166-459 - libgromacs.so.8 [...]00000.000.00
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALad76a5e0::(anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...+libgromacs.so.80.070.130.1310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 25674 - bonded.cpp:445-1084 - libgromacs.so.8 [...]0.070.130.1310.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#40}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.060.120.1210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#3}>(nbnxm_kernel_ElecEw_Vdw...libgromacs.so.80.060.120.1210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#92}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.060.120.1210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○__libm_sse2_sincosflibgromacs.so.80.060.110.1110.000.00libgromacs.so.8 (%): 100.00
►int _INTERNAL2cbbcd96::assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float...+libgromacs.so.80.060.120.1210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 8570 - localtopology.cpp:417-577 - libgromacs.so.8 [...]+0.040.080.0810.000.00
►Loop 8577 - localtopology.cpp:506-514 - libgromacs.so.8 [...]+0.010.010.0110.000.00
○Loop 8578 - hashedmap.h:277-282 - libgromacs.so.8 [...]00000.000.00
○Loop 8575 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○Loop 8576 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○Loop 8571 - idef.h:245-247 - libgromacs.so.8 [...]00000.000.00
○Loop 8574 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○Loop 8572 - vector.tcc:589-589 - libgromacs.so.8 [...]00000.000.00
○Loop 8579 - hashedmap.h:277-282 - libgromacs.so.8 [...]00000.000.00
○Loop 8573 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*...libgromacs.so.80.060.110.1110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL0808fbd2::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)+libgromacs.so.80.060.110.1110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 7324 - pairlist.cpp:2092-2096 - libgromacs.so.80.020.040.0410.000.00
○Loop 7325 - pairlist.cpp:2082-2086 - libgromacs.so.80.020.030.0310.000.00
○Loop 7322 - pairlist.cpp:2099-2101 - libgromacs.so.80.010.010.0110.000.00
○Loop 7328 - stl_algobase.h:740-742 - libgromacs.so.800000.000.00
○Loop 7327 - stl_algobase.h:740-742 - libgromacs.so.800000.000.00
○Loop 7326 - vector.tcc:589-589 - libgromacs.so.8 [...]00000.000.00
○Loop 7323 - pairlist.cpp:2099-2101 - libgromacs.so.800000.000.00
○void _INTERNALad76a5e0::gmx::__regcall3__transposeScatterIncrU<4>(float*, int const*, _INTERNALad76a5e0::gmx::SimdFloat, _INTERNALad76a5e0::gmx::SimdFloat, _INTERNALad76a5e0::gmx::SimdFloat)libgromacs.so.80.060.110.1110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_mkplan_hc2clibfftw3f.so.3.5.50.060.110.1110.000.00Math (%): 100.00
○__memcpy_avx_unaligned_ermslibc-2.28.so0.050.090.0910.000.00Memory (%): 100.00
○__libm_expf_l9libgromacs.so.80.050.090.0910.000.00libgromacs.so.8 (%): 100.00
○fftwf_codelet_r2cf_3libfftw3f.so.3.5.50.050.10.110.000.00Math (%): 100.00
○bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*)libgromacs.so.80.050.10.110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#51}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.050.090.0910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►reduceThreadForceBuffers#0xea385a+libgromacs.so.80.050.10.110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 9855 - threaded_force_buffer.cpp:171-211 - libgromacs.so.8 [...]+00000.000.00
○Loop 9857 - threaded_force_buffer.cpp:200-200 - libgromacs.so.8 [...]0.050.10.110.000.00
○Loop 9856 - threaded_force_buffer.cpp:182-187 - libgromacs.so.8 [...]00000.000.00
►Loop 9858 - threaded_force_buffer.cpp:207-211 - libgromacs.so.8 [...]+00000.000.00
○Loop 9859 - threaded_force_buffer.cpp:209-211 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#39}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.050.10.110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○gmx::DiagonalMasker<4, (KernelLayout)0, (gmx::DiagonalMaskType)1>::maskArray(int, int, std::array<gmx::SimdFBool, 4ul>&) constlibgromacs.so.80.050.10.110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+libgromacs.so.80.050.090.0910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 9978 - stl_algobase.h:684-685 - libgromacs.so.800000.000.00
►Loop 9980 - threaded_force_buffer.cpp:78-80 - libgromacs.so.8 [...]+00010.000.00
○Loop 9979 - stl_algobase.h:695-695 - libgromacs.so.80.050.090.0910.000.00
○Loop 9974 - threaded_force_buffer.cpp:97-97 - libgromacs.so.8 [...]00000.000.00
○Loop 9973 - threaded_force_buffer.cpp:97-97 - libgromacs.so.8 [...]00000.000.00
○Loop 9976 - stl_algobase.h:695-696 - libgromacs.so.800000.000.00
○Loop 9977 - stl_algobase.h:695-696 - libgromacs.so.800000.000.00
►Loop 9972 - threaded_force_buffer.cpp:90-94 - libgromacs.so.8 [...]+00000.000.00
○Loop 9975 - threaded_force_buffer.cpp:92-94 - libgromacs.so.800000.000.00
►_INTERNAL51e532c6::gmx::__regcall3__calc_dist_iter_simd(int, int, _INTERNAL51e532c6::gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float const (*) [3], float const*, float const*, float const*, float, float*, float*, bool*)+libgromacs.so.80.050.090.0910.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23156 - lincs.cpp:966-978 - libgromacs.so.8 [...]0.050.090.0910.000.00
►calc_ke_part_normal#0x1345ec2+libgromacs.so.80.050.10.110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 23259 - md_support.cpp:114-157 - libgromacs.so.8 [...]+00000.000.00
○Loop 23260 - md_support.cpp:139-157 - libgromacs.so.8 [...]0.050.10.110.000.00
○Loop 23261 - md_support.cpp:132-132 - libgromacs.so.8 [...]00000.000.00
○__libm_erfcf_exlibgromacs.so.80.050.090.0910.000.00libgromacs.so.8 (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#35}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.040.080.0810.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►wrap_periodic_pmegrid(gmx_pme_t const*, float*)+libgromacs.so.80.040.070.0710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 26165 - pme_grid.cpp:465-471 - libgromacs.so.8+00000.000.00
►Loop 26166 - pme_grid.cpp:467-471 - libgromacs.so.8+00000.000.00
○Loop 26167 - pme_grid.cpp:469-471 - libgromacs.so.800000.000.00
►Loop 26168 - pme_grid.cpp:467-471 - libgromacs.so.8+00000.000.00
○Loop 26171 - pme_grid.cpp:469-471 - libgromacs.so.80.020.030.0310.000.00
○Loop 26169 - pme_grid.cpp:469-471 - libgromacs.so.800000.000.00
○Loop 26170 - pme_grid.cpp:469-471 - libgromacs.so.800000.000.00
○Loop 26172 - pme_grid.cpp:469-471 - libgromacs.so.800000.000.00
►Loop 26174 - pme_grid.cpp:449-455 - libgromacs.so.8+00000.000.00
►Loop 26175 - pme_grid.cpp:451-455 - libgromacs.so.8+00000.000.00
►Loop 26177 - pme_grid.cpp:451-455 - libgromacs.so.8+00000.000.00
○Loop 26181 - pme_grid.cpp:453-455 - libgromacs.so.800000.000.00
○Loop 26179 - pme_grid.cpp:453-455 - libgromacs.so.800000.000.00
○Loop 26180 - pme_grid.cpp:453-455 - libgromacs.so.800010.000.00
○Loop 26178 - pme_grid.cpp:453-455 - libgromacs.so.800000.000.00
○Loop 26176 - pme_grid.cpp:453-455 - libgromacs.so.800000.000.00
►Loop 26173 - pme_grid.cpp:436-442 - libgromacs.so.8+00000.000.00
►Loop 26182 - pme_grid.cpp:438-442 - libgromacs.so.8+00010.000.00
○Loop 26183 - pme_grid.cpp:440-442 - libgromacs.so.80.020.030.0310.000.00
►Loop 26184 - pme_grid.cpp:438-442 - libgromacs.so.8+00010.000.00
○Loop 26185 - pme_grid.cpp:440-442 - libgromacs.so.800000.000.00
○Loop 26187 - pme_grid.cpp:440-442 - libgromacs.so.800000.000.00
○Loop 26186 - pme_grid.cpp:440-442 - libgromacs.so.800000.000.00
○Loop 26188 - pme_grid.cpp:440-442 - libgromacs.so.800000.000.00
○fftwf_mkplan_dftwlibfftw3f.so.3.5.50.040.070.0710.000.00Math (%): 100.00
○fftwf_ct_genericbuf_registerlibfftw3f.so.3.5.50.040.080.0810.000.00Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#19}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.040.070.0710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○void gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 4> const&a...libgromacs.so.80.040.080.0810.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#9}>(nbnxm_kernel_ElecEw_Vdw...libgromacs.so.80.040.070.0710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#127}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.040.070.0710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#44}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.040.070.0710.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#113}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.040.080.0810.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○__libm_acosf_l9libgromacs.so.80.040.080.0810.000.00libgromacs.so.8 (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#131}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.040.080.0810.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►void _INTERNAL4936ffde::gmx::settleTemplate<_INTERNAL4936ffde::gmx::SimdFloat, _INTERNAL4936ffde::gmx::SimdFBool, 8, float const*, true, true>(_INTERNAL4936ffde::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*,...+libgromacs.so.80.040.080.0810.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23720 - settle.cpp:425-676 - libgromacs.so.8 [...]0.040.080.0810.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#16}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#69}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#124}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.030.060.0610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○void _INTERNALad76a5e0::gmx::__regcall3__transposeScatterDecrU<4>(float*, int const*, _INTERNALad76a5e0::gmx::SimdFloat, _INTERNALad76a5e0::gmx::SimdFloat, _INTERNALad76a5e0::gmx::SimdFloat)libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#59}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○void gmx::lennardJonesInteractionsSigmaEpsilon<2, true, false, true, 4ul, 4ul, 2ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 2> const&a...libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#46}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#119}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#95}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.030.060.0610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#60}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#72}>(nbnxm_kernel_ElecE...libgromacs.so.80.030.060.0610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#11}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.030.060.0610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#133}>(nbnxm_kernel_Elec...libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#165}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.030.060.0610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*)+libgromacs.so.80.030.060.0610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23276 - mdatoms.cpp:446-448 - libgromacs.so.800000.000.00
►Loop 23275 - mdatoms.cpp:267-437 - libgromacs.so.8 [...]+00000.000.00
►Loop 23274 - mdatoms.cpp:267-437 - libgromacs.so.8 [...]+00000.000.00
○Loop 23273 - mdatoms.cpp:267-437 - libgromacs.so.8 [...]0.030.060.0610.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#168}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○__GI___printf_fp_llibc-2.28.so0.030.050.0510.000.00IO (%): 100.00
○void gmx::LennardJonesCalculator<false, (InteractionModifiers)1>::forceSigmaEpsilon<2, true, false, 4ul, 4ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool*, std::array&l...libgromacs.so.80.030.060.0610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#160}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#10}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#179}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#107}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.030.060.0610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►void _INTERNAL2cbbcd96::make_exclusions_zone<true>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> &g...+libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 8542 - new_allocator.h:101-136 - libgromacs.so.8 [...]+00000.000.00
○Loop 8544 - stl_vector.h:951-951 - libgromacs.so.8 [...]00000.000.00
►Loop 8545 - iterator_interface.hpp:166-459 - libgromacs.so.8 [...]+00000.000.00
►Loop 8546 - localtopology.cpp:732-788 - libgromacs.so.8 [...]+0.010.020.0210.000.00
►Loop 8548 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]+0.020.030.0310.000.00
○Loop 8549 - hashedmap.h:277-282 - libgromacs.so.8 [...]00000.000.00
○Loop 8547 - stl_algo.h:118-118 - libgromacs.so.8 [...]00000.000.00
○Loop 8543 - hashedmap.h:277-282 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*...libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#159}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_codelet_r2cfII_3libfftw3f.so.3.5.50.030.050.0510.000.00Math (%): 100.00
○std::array<gmx::SimdFBool, 4ul>::operator[](unsigned long)libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#125}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.030.060.0610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNALa6877fbc::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)+libgromacs.so.80.030.050.0510.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 6653 - grid.cpp:415-420 - libgromacs.so.80.020.030.0310.000.00
►Loop 6651 - grid.cpp:329-408 - libgromacs.so.8 [...]+0.010.020.0210.000.00
○Loop 6655 - grid.cpp:397-402 - libgromacs.so.8 [...]00000.000.00
○Loop 6654 - grid.cpp:385-389 - libgromacs.so.8 [...]00000.000.00
○Loop 6650 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○Loop 6652 - grid.cpp:426-431 - libgromacs.so.800000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#185}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.030.060.0610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#63}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.030.060.0610.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_dft_solvelibfftw3f.so.3.5.50.030.050.0510.000.00Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#135}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#187}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#100}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#96}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#84}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►unwrap_periodic_pmegrid(gmx_pme_t*, float*)+libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 26197 - pme_grid.cpp:496-504 - libgromacs.so.8+00000.000.00
►Loop 26198 - pme_grid.cpp:496-504 - libgromacs.so.8+00000.000.00
○Loop 26199 - pme_grid.cpp:502-504 - libgromacs.so.800000.000.00
○Loop 26200 - pme_grid.cpp:500-504 - libgromacs.so.800000.000.00
►Loop 26193 - pme_grid.cpp:496-539 - libgromacs.so.8 [...]+00000.000.00
►Loop 26194 - pme_grid.cpp:496-539 - libgromacs.so.8 [...]+0.010.020.0210.000.00
○Loop 26195 - pme_grid.cpp:537-539 - libgromacs.so.80.010.020.0210.000.00
○Loop 26196 - pme_grid.cpp:535-539 - libgromacs.so.800000.000.00
►Loop 26189 - pme_grid.cpp:512-539 - libgromacs.so.8 [...]+00000.000.00
►Loop 26190 - pme_grid.cpp:518-539 - libgromacs.so.8 [...]+00000.000.00
○Loop 26191 - pme_grid.cpp:520-522 - libgromacs.so.800000.000.00
○Loop 26192 - pme_grid.cpp:518-522 - libgromacs.so.800000.000.00
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#132}>(nbnxm_kernel_Elec...libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#126}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNALa6877fbc::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<int>, int*)+libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 6637 - grid.cpp:816-868 - libgromacs.so.8 [...]+00010.000.00
○Loop 6642 - grid.cpp:823-834 - libgromacs.so.80.010.020.0210.000.00
○Loop 6643 - grid.cpp:825-825 - libgromacs.so.80.010.010.0110.000.00
○Loop 6640 - grid.cpp:851-853 - libgromacs.so.800000.000.00
○Loop 6639 - grid.cpp:855-857 - libgromacs.so.800000.000.00
○Loop 6641 - grid.cpp:851-853 - libgromacs.so.800000.000.00
○Loop 6638 - grid.cpp:855-857 - libgromacs.so.800000.000.00
►void _INTERNAL0808fbd2::get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)+libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 7321 - pairlist.cpp:282-286 - libgromacs.so.80.010.010.0110.000.00
○Loop 7320 - pairlist.cpp:291-295 - libgromacs.so.80.010.010.0110.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*...libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#90}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL2cbbcd96::atomInMolblockFromGlobalAtomnr(gmx::ArrayRef<MolblockIndices const>, int)+libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 8558 - stl_algo.h:621-633 - libgromacs.so.8 [...]0.010.020.0210.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#70}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#89}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#99}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#24}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#123}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#34}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#8}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#183}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#164}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#79}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►float _INTERNALad76a5e0::(anonymous namespace)::idihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef<float const>, t_fcdata*, t_disresdata*...+libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 25619 - bonded.cpp:1822-2327 - libgromacs.so.8 [...]0.020.030.0310.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#77}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL5c39f9b1::atoms_to_constraints(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::ListOfLists<int> const>, int, InteractionList*, std::vector<int, std::allocator<int> >*)+libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 8323 - domdec_constraints.cpp:286-347 - libgromacs.so.8 [...]+0.010.010.0110.000.00
►Loop 8324 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]+0.020.030.0310.000.00
○Loop 8330 - hashedmap.h:277-282 - libgromacs.so.8 [...]00000.000.00
○Loop 8327 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○Loop 8326 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○Loop 8325 - vector.tcc:589-590 - libgromacs.so.8 [...]00000.000.00
○Loop 8328 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○Loop 8329 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○Loop 8331 - mtop_lookup.h:93-106 - libgromacs.so.8 [...]00000.000.00
○void gmx::LennardJonesCalculator<true, (InteractionModifiers)1>::forceSigmaEpsilon<4, false, false, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool*, std::array&l...libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○void gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, false, 4ul, 4ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 4> const&...libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#128}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#75}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#36}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#71}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_dft_conf_standardlibfftw3f.so.3.5.50.020.030.0310.000.00Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#14}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○void gmx::LennardJonesCalculator<false, (InteractionModifiers)1>::forceSigmaEpsilon<4, true, false, 4ul, 4ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool*, std::array&l...libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○_IO_vfprintflibc-2.28.so0.020.040.0410.000.00IO (%): 100.00
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALad76a5e0::(anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...+libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 25686 - bonded.cpp:129-3032 - libgromacs.so.8 [...]0.020.040.0410.000.00
►calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3])+libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 22332 - calcvir.cpp:61-81 - libgromacs.so.8 [...]0.020.040.0410.000.00
○Loop 22333 - calcvir.cpp:123-123 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#97}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#104}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►std::enable_if<std::is_same<float [3], float [3]>::value||std::is_same<float [3], float const [3]>::value, void>::type _INTERNAL3858d692::updateMDLeapfrogSimple<(StoreUpdatedVelocities)0, (NumTempScaleValues)2, (ParrinelloRahmanVelocit...+libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23931 - update.cpp:367-393 - libgromacs.so.8 [...]0.020.040.0410.000.00
○fftwf_codelet_r2cb_3libfftw3f.so.3.5.50.020.040.0410.000.00Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#184}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#33}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○_INTERNAL4936ffde::__regcall3__pbc_dx_aiuc(float const*, gmx::SimdFloat const*, gmx::SimdFloat const*, gmx::SimdFloat*)libgromacs.so.80.020.040.0410.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFBool, 2ul>::array()libgromacs.so.80.020.030.0310.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#137}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#106}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#37}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#92}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#72}>(nbnxm_kernel_Elec...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#180}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#1}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#94}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFBool, 4ul>::array()libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL5c39f9b1::atoms_to_settles(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<std::vector<int, std::allocator<int> > const>, int, int, InteractionList*, std::vector<int, std::allocator<int&...+libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 8311 - domdec_constraints.cpp:206-254 - libgromacs.so.8 [...]+0.010.010.0110.000.00
►Loop 8312 - domdec_constraints.cpp:226-236 - libgromacs.so.8 [...]+0.010.010.0110.000.00
○Loop 8321 - hashedmap.h:277-282 - libgromacs.so.8 [...]00000.000.00
►Loop 8316 - new_allocator.h:101-130 - libgromacs.so.8 [...]+00000.000.00
○Loop 8313 - vector.tcc:589-590 - libgromacs.so.8 [...]00000.000.00
○Loop 8322 - mtop_lookup.h:93-106 - libgromacs.so.8 [...]00000.000.00
○Loop 8314 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
►Loop 8319 - stl_vector.h:296-1646 - libgromacs.so.8 [...]+00000.000.00
○Loop 8320 - hashedmap.h:277-282 - libgromacs.so.8 [...]00000.000.00
○Loop 8318 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○Loop 8317 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○Loop 8315 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○_IO_file_xsputnlibc-2.28.so0.010.010.0110.000.00IO (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#96}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#32}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData*, gmx::ArrayRef<Nbnxm::GridWork>, gmx::Range<int>, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, nbnxn_atomdata_t*)+libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 6605 - grid.cpp:1464-1468 - libgromacs.so.8 [...]0.010.020.0210.000.00
○Loop 6615 - stl_uninitialized.h:630-630 - libgromacs.so.8 [...]00000.000.00
○Loop 6611 - stl_uninitialized.h:630-630 - libgromacs.so.8 [...]00000.000.00
○Loop 6599 - range.h:105-105 - libgromacs.so.8 [...]00000.000.00
○Loop 6614 - stl_iterator.h:1056-1123 - libgromacs.so.8 [...]00000.000.00
○Loop 6601 - grid.cpp:707-712 - libgromacs.so.800000.000.00
○Loop 6617 - stl_uninitialized.h:630-630 - libgromacs.so.8 [...]00000.000.00
○Loop 6606 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]00000.000.00
►Loop 6607 - grid.cpp:1436-1443 - libgromacs.so.8 [...]+00000.000.00
○Loop 6608 - grid.cpp:1438-1441 - libgromacs.so.8 [...]00000.000.00
○Loop 6602 - grid.cpp:707-712 - libgromacs.so.800000.000.00
○Loop 6610 - stl_uninitialized.h:630-630 - libgromacs.so.8 [...]00000.000.00
○Loop 6604 - grid.cpp:1476-1478 - libgromacs.so.8 [...]00000.000.00
○Loop 6612 - stl_uninitialized.h:630-630 - libgromacs.so.8 [...]00000.000.00
►Loop 6618 - grid.cpp:1391-1414 - libgromacs.so.8 [...]+00000.000.00
○Loop 6619 - grid.cpp:1402-1404 - libgromacs.so.8 [...]00000.000.00
○Loop 6616 - stl_uninitialized.h:630-630 - libgromacs.so.8 [...]00000.000.00
○Loop 6603 - grid.cpp:1512-1514 - libgromacs.so.8 [...]00000.000.00
○Loop 6613 - stl_uninitialized.h:630-630 - libgromacs.so.8 [...]00000.000.00
○Loop 6609 - vector.tcc:589-589 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#97}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL51e532c6::gmx::set_lincs_matrix_task(_INTERNAL51e532c6::gmx::Lincs*, (anonymous namespace)::Task*, _INTERNAL51e532c6::gmx::ArrayRef<float const>, int*, int*)+libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 23165 - lincs.cpp:1301-1374 - libgromacs.so.8 [...]+00000.000.00
►Loop 23166 - lincs.cpp:1305-1374 - libgromacs.so.8 [...]+0.010.010.0110.000.00
○Loop 23167 - lincs.cpp:1341-1374 - libgromacs.so.8 [...]00000.000.00
○Loop 23164 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#35}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALad76a5e0::(anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...+libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 25616 - bonded.cpp:2179-2256 - libgromacs.so.8 [...]0.010.020.0210.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#37}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*,...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#138}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#180}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#5}>(nbnxm_kernel_ElecEw_Vdw...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#15}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_mkproblem_rdft_0_dlibfftw3f.so.3.5.50.010.010.0110.000.00Math (%): 100.00
○fftwf_rdft2_solvelibfftw3f.so.3.5.50.010.010.0110.000.00Math (%): 100.00
○_INTERNAL0808fbd2::makeClusterListWrapper(NbnxnPairlistCpu*, Nbnxm::Grid const&, int, Nbnxm::Grid const&, int, int, bool, nbnxn_atomdata_t const*, float, float, ClusterDistanceKernelType, int*)libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_codelet_n1_15libfftw3f.so.3.5.50.010.010.0110.000.00Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#111}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#162}>(nbnxm_kernel_Ele...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#7}>(nbnxm_kernel_ElecEw_Vdw...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○constrained_atom_sigma2(float, atom_nonbonded_kinetic_prop_t const*, float*, float*)libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_codelet_n1_7libfftw3f.so.3.5.50.010.010.0110.000.00Math (%): 100.00
►void _INTERNAL0808fbd2::get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)+libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 7329 - pairlist.cpp:291-295 - libgromacs.so.80.010.010.0110.000.00
○Loop 7330 - pairlist.cpp:282-286 - libgromacs.so.800010.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#2}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL8b842018::calc_cg_move(_IO_FILE*, long, gmx_domdec_t*, t_state*, int const*, float (*) [3], float const*, float const*, MoveLimits const&, int, int, gmx::ArrayRef<int>)+libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 8931 - redistribute.cpp:74-428 - libgromacs.so.8 [...]+00000.000.00
►Loop 8930 - redistribute.cpp:349-421 - libgromacs.so.8 [...]+0.010.010.0110.000.00
○Loop 8933 - redistribute.cpp:419-421 - libgromacs.so.8 [...]00000.000.00
○Loop 8934 - redistribute.cpp:414-416 - libgromacs.so.8 [...]00000.000.00
○Loop 8932 - redistribute.cpp:74-312 - libgromacs.so.8 [...]00000.000.00
○Loop 8929 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*,...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#17}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL5a3f01e8::calc_bonded_reduction_mask(int, gmx::ThreadForceBuffer<float [4]>*, InteractionDefinitions const&, int, bonded_threading_t const&)+libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 25839 - manage_threading.cpp:351-367 - libgromacs.so.8 [...]+00000.000.00
►Loop 25840 - manage_threading.cpp:363-367 - libgromacs.so.8 [...]+00000.000.00
○Loop 25841 - manage_threading.cpp:365-367 - libgromacs.so.8 [...]0.010.020.0210.000.00
○Loop 25838 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
►copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 26162 - pme_grid.cpp:395-418 - libgromacs.so.8 [...]+00000.000.00
○Loop 26164 - pme_grid.cpp:395-404 - libgromacs.so.80.010.020.0210.000.00
○Loop 26163 - pme_grid.cpp:402-404 - libgromacs.so.800000.000.00
►copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)+libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 26158 - pme_grid.cpp:271-349 - libgromacs.so.8 [...]+00000.000.00
►Loop 26159 - pme_grid.cpp:301-349 - libgromacs.so.8 [...]+00000.000.00
○Loop 26161 - pme_grid.cpp:301-303 - libgromacs.so.80.010.010.0110.000.00
○Loop 26160 - pme_grid.cpp:303-309 - libgromacs.so.800000.000.00
►calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_vcm*)+libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 24119 - vcm.cpp:189-203 - libgromacs.so.8 [...]0.010.010.0110.000.00
►Loop 24122 - vcm.cpp:222-245 - libgromacs.so.8 [...]+00000.000.00
○Loop 24123 - vcm.cpp:236-245 - libgromacs.so.8 [...]00000.000.00
○Loop 24121 - vcm.cpp:173-177 - libgromacs.so.8 [...]00000.000.00
○Loop 24118 - vcm.cpp:143-215 - libgromacs.so.8 [...]00000.000.00
○Loop 24120 - vcm.cpp:173-177 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#68}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL2bdc0b8b::make_dd_indices(gmx_domdec_t*, int)+libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 8826 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
►Loop 8819 - partition.cpp:514-539 - libgromacs.so.8 [...]+00000.000.00
►Loop 8820 - partition.cpp:514-539 - libgromacs.so.8 [...]+00000.000.00
►Loop 8821 - partition.cpp:528-539 - libgromacs.so.8 [...]+0.010.010.0110.000.00
○Loop 8823 - hashedmap.h:167-167 - libgromacs.so.8 [...]00000.000.00
○Loop 8822 - hashedmap.h:187-189 - libgromacs.so.800000.000.00
○Loop 8824 - vector.tcc:589-589 - libgromacs.so.8 [...]00000.000.00
○Loop 8827 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○Loop 8828 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○Loop 8818 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○Loop 8825 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#18}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#36}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#5}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►void std::vector<int, std::allocator<int> >::_M_range_insert<gmx::ArrayRefIter<int const> >(__gnu_cxx::__normal_iterator<int*, std::vector<int, std::allocator<int> > >, gmx::ArrayRefIter<int const>, gmx::Arra...+libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 8638 - stl_algobase.h:322-324 - libgromacs.so.800000.000.00
○Loop 8637 - stl_algobase.h:322-324 - libgromacs.so.800000.000.00
○Loop 8639 - stl_algobase.h:322-324 - libgromacs.so.800010.000.00
○Loop 8636 - stl_algobase.h:322-324 - libgromacs.so.800000.000.00
○Loop 8640 - stl_algobase.h:322-324 - libgromacs.so.800000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#130}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#161}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_transposelibfftw3f.so.3.5.50.010.010.0110.000.00Math (%): 100.00
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#12}>(nbnxm_kernel_Elec...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#85}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#17}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#93}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#156}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►void std::vector<nbnxn_cj_t, gmx::DefaultInitializationAllocator<nbnxn_cj_t, std::allocator<nbnxn_cj_t> > >::_M_realloc_insert<nbnxn_cj_t const&>(__gnu_cxx::__normal_iterator<nbnxn_cj_t*, std::vector<nbnxn_cj_t, gmx::Defau...+libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 7591 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]0.010.010.0110.000.00
○Loop 7592 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
○Loop 7590 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
►_INTERNAL1153a3b6::postProcessForces(t_commrec const*, long, t_nrnb*, gmx_wallcycle*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ForceOutputs*, float (*) [3], t_mdatoms const*, t_forcerec const*, gmx::VirtualSitesHa...+libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23776 - sim_util.cpp:150-150 - libgromacs.so.8 [...]0.010.010.0110.000.00
○std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#30}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○hack_digitlibc-2.28.so0.010.010.0110.000.00System (%): 100.00
○fftwf_cpy2d_pairlibfftw3f.so.3.5.50.010.010.0110.000.00Math (%): 100.00
►_INTERNAL7734ad3d::mk_grey(gmx::ArrayRef<egCol>, t_graph*, int*, int, float const (*) [3], float const (*) [3], int*)+libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 10245 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]+00010.000.00
►Loop 10247 - mshift.cpp:450-602 - libgromacs.so.8 [...]+00010.000.00
○Loop 10249 - mshift.cpp:464-466 - libgromacs.so.800000.000.00
○Loop 10248 - mshift.cpp:472-474 - libgromacs.so.800000.000.00
○Loop 10246 - mshift.cpp:493-606 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#133}>(nbnxm_kernel_Ele...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#22}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○dd_check_ftype(int, ReverseTopOptions const&)libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_codelet_n1bv_5_sse2libfftw3f.so.3.5.50.010.010.0110.000.00Math (%): 100.00
○_int_malloclibc-2.28.so0.010.010.0110.000.00Memory (%): 100.00
○_intel_fast_memcpygmx0.010.010.0110.000.00Memory (%): 100.00
►gmx::InMemoryDeserializer::doFloat(float*)+libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 370 - inmemoryserializer.cpp:92-92 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#78}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○gmx::lennardJonesInteractionsSigmaEpsilon<2, true, false, true, 4ul, 4ul, 2ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 2> const&, ...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○do_lookup_xld-2.28.so0.010.010.0110.000.00System (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#182}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#82}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#179}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#89}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#25}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#14}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*,...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#158}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○void gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, false, 4ul, 4ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 4> const...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*,...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#70}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL51e532c6::gmx::set_matrix_indices(_INTERNAL51e532c6::gmx::Lincs*, (anonymous namespace)::Task const&, _INTERNAL51e532c6::gmx::ListOfLists<int> const&, bool)+libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 23187 - lincs.cpp:1986-2012 - libgromacs.so.8 [...]+00010.000.00
○Loop 23201 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]0.010.010.0110.000.00
►Loop 23193 - stl_iterator.h:806-988 - libgromacs.so.8 [...]+00000.000.00
○Loop 23194 - predefined_ops.h:90-90 - libgromacs.so.8 [...]00000.000.00
►Loop 23188 - stl_iterator.h:806-988 - libgromacs.so.8 [...]+00000.000.00
○Loop 23189 - predefined_ops.h:90-90 - libgromacs.so.8 [...]00000.000.00
○Loop 23200 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]00010.000.00
►Loop 23191 - stl_iterator.h:806-887 - libgromacs.so.8 [...]+00000.000.00
○Loop 23192 - predefined_ops.h:90-90 - libgromacs.so.8 [...]00000.000.00
►Loop 23197 - stl_algo.h:1920-1955 - libgromacs.so.8 [...]+00000.000.00
►Loop 23196 - stl_iterator.h:806-902 - libgromacs.so.8 [...]+00000.000.00
○Loop 23199 - predefined_ops.h:43-43 - libgromacs.so.8 [...]00000.000.00
○Loop 23198 - predefined_ops.h:43-43 - libgromacs.so.8 [...]00000.000.00
○Loop 23190 - stl_heap.h:342-346 - libgromacs.so.8 [...]00000.000.00
○Loop 23195 - stl_heap.h:251-405 - libgromacs.so.8 [...]00000.000.00
►_INTERNAL2bdc0b8b::clearDDStateIndices(gmx_domdec_t*, bool)+libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 8730 - partition.cpp:646-648 - libgromacs.so.8 [...]+0.010.010.0110.000.00
○Loop 8731 - hashedmap.h:232-255 - libgromacs.so.8 [...]00000.000.00
○Loop 8738 - hashedmap.h:290-293 - libgromacs.so.800000.000.00
○Loop 8732 - ga2la.h:156-158 - libgromacs.so.800000.000.00
○Loop 8736 - stl_uninitialized.h:526-526 - libgromacs.so.8 [...]00000.000.00
○Loop 8735 - stl_uninitialized.h:82-82 - libgromacs.so.8 [...]00000.000.00
○Loop 8734 - stl_uninitialized.h:526-526 - libgromacs.so.8 [...]00000.000.00
○Loop 8737 - hashedmap.h:103-106 - libgromacs.so.800000.000.00
○Loop 8733 - vector.tcc:589-589 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#9}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#185}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#6}>(nbnxm_kernel_ElecEw_Vdw...libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►do_force(_IO_FILE*, t_commrec const*, gmx_multisim_t const*, t_inputrec const&, gmx::Awh*, gmx_enfrot*, gmx::ImdSession*, pull_t*, long, t_nrnb*, gmx_wallcycle*, gmx_localtop_t const*, float const (*) [3], gmx::ArrayRefWithPadding<gmx::BasicVector&l...+libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23774 - sim_util.cpp:2096-2121 - libgromacs.so.8 [...]0.010.010.0110.000.00
○Loop 23775 - stl_iterator.h:806-887 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#76}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#152}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►void _INTERNAL2bdc0b8b::orderVector<gmx::BasicVector<float> >(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >)+libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 8761 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]00010.000.00
○Loop 8760 - stl_algobase.h:322-324 - libgromacs.so.8 [...]00010.000.00
►Nbnxm::Grid::calcColumnIndices(Nbnxm::Grid::Dimensions const&, gmx::UpdateGroupsCog const*, gmx::Range<int>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, int const*, int, int, gmx::ArrayRef<int>, gmx::ArrayRef<int>)+libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 6664 - grid.cpp:1241-1313 - libgromacs.so.8 [...]0.010.010.0110.000.00
○Loop 6663 - grid.cpp:1241-1346 - libgromacs.so.8 [...]00000.000.00
○Loop 6666 - grid.cpp:1259-1261 - libgromacs.so.800000.000.00
○Loop 6665 - grid.cpp:1259-1261 - libgromacs.so.800000.000.00
►_INTERNAL8b842018::copyMovedAtomsToBufferPerAtom(gmx::ArrayRef<int const>, int, int, float (*) [3], gmx_domdec_comm_t*)+libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 8919 - redistribute.cpp:91-100 - libgromacs.so.8 [...]0.010.010.0110.000.00
○std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#29}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>)+libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 8310 - domdec_constraints.cpp:464-472 - libgromacs.so.8 [...]00000.000.00
○Loop 8302 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
►Loop 8304 - domdec_constraints.cpp:512-521 - libgromacs.so.8 [...]+00000.000.00
►Loop 8305 - domdec_constraints.cpp:515-521 - libgromacs.so.8 [...]+0.010.010.0110.000.00
○Loop 8306 - hashedmap.h:277-282 - libgromacs.so.8 [...]00000.000.00
►Loop 8307 - domdec_constraints.cpp:497-506 - libgromacs.so.8 [...]+00000.000.00
►Loop 8308 - domdec_constraints.cpp:500-506 - libgromacs.so.8 [...]+00000.000.00
○Loop 8309 - hashedmap.h:277-282 - libgromacs.so.8 [...]00000.000.00
►Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*)+libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 6630 - grid.cpp:531-538 - libgromacs.so.800000.000.00
○Loop 6633 - grid.cpp:504-511 - libgromacs.so.800000.000.00
○Loop 6631 - grid.cpp:531-538 - libgromacs.so.800000.000.00
○Loop 6629 - grid.cpp:531-538 - libgromacs.so.800010.000.00
○Loop 6632 - grid.cpp:504-511 - libgromacs.so.800000.000.00
○Loop 6626 - grid.cpp:633-633 - libgromacs.so.8 [...]00000.000.00
○Loop 6636 - grid.cpp:911-915 - libgromacs.so.800000.000.00
○Loop 6634 - grid.cpp:504-511 - libgromacs.so.800000.000.00
○Loop 6635 - grid.cpp:921-923 - libgromacs.so.8 [...]00000.000.00
○Loop 6627 - grid.cpp:598-605 - libgromacs.so.800000.000.00
○Loop 6628 - grid.cpp:598-605 - libgromacs.so.800000.000.00
○Loop 6625 - grid.cpp:476-483 - libgromacs.so.800000.000.00
○Loop 6624 - grid.cpp:476-483 - libgromacs.so.800000.000.00
○fftwf_codelet_r2cbIII_3libfftw3f.so.3.5.50.010.010.0110.000.00Math (%): 100.00
►globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)+libgromacs.so.80.010.020.0210.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 8952 - reversetopology.cpp:141-148 - libgromacs.so.8 [...]00010.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#186}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.010.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_iestimate_costlibfftw3f.so.3.5.50.010.010.0110.000.00Math (%): 100.00
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