options

Loops Index

70 loops 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

Level Coverage run_0 (%) Max Time Over Threads run_0 (s) Time w.r.t. Wall Time run_0 (s) Nb Threads run_0 GFLOPS run_0 Vectorization Ratio (%) Vector Length Use (%) Speedup If No Scalar Integer Speedup If FP Vectorized Speedup If Fully Vectorized Speedup If Perfect Load Balancing run_0 Stride 0 Stride 1 Stride n Stride Unknown Stride Indirect
Loop idSource LocationSource FunctionLevelCoverage run_0 (%)Max Time Over Threads run_0 (s)Time w.r.t. Wall Time run_0 (s)Nb Threads run_0GFLOPS run_0Vectorization Ratio (%)Vector Length Use (%)Speedup If No Scalar IntegerSpeedup If FP VectorizedSpeedup If Fully VectorizedSpeedup If Perfect Load Balancing run_0Stride 0Stride 1Stride nStride UnknownStride Indirect
987libgromacs_mpi.so.7.0.0 - kernel_outer.h:547-547 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost33.5592.1292.12153.6810094.93111120122
985libgromacs_mpi.so.7.0.0 - kernel_outer.h:565-565 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost12.5134.3434.34155.1310095.28111120122
994libgromacs_mpi.so.7.0.0 - kernel_outer.h:547-547 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost5.0613.913.9160.1810096.67111120122
21809libgromacs_mpi.so.7.0.0 - fft5d.cpp:884-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost3.519.639.6310.00012.5118100030
21402libgromacs_mpi.so.7.0.0 - pme_gather.cpp:76-348 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Outermost2.87.697.69122.4854.140.162.231.061.361NANANANANA
18653libgromacs_mpi.so.7.0.0 - lincs.cpp:276-287 [...]_INTERNAL1bba7552::gmx::lincs_matrix_expand(_INTERNAL1bba7552::gmx::Lincs const&, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ArrayRef<float const>, _INTERNAL1bba7552::gmx::ArrayRef<float>, _INTERNAL1bba7552::gmx::Array...InBetween2.627.187.1816.344039.292.491.011.271NANANANANA
21753libgromacs_mpi.so.7.0.0 - pme_spread.cpp:331-400 [...]_INTERNALae0e43be::spread_coefficients_bsplines_thread(pmegrid_t const*, PmeAtomComm const*, splinedata_t*, pme_spline_work*)Outermost2.526.926.9215.6355.6718.812.21.69.111NANANANANA
21746libgromacs_mpi.so.7.0.0 - pme_spread.cpp:277-292 [...]_INTERNALae0e43be::make_bsplines(float**, float**, int, float (*) [3], int, int const*, float const*, bool)Outermost2.396.556.5515.3118.189.641.111.0711.981NANANANANA
21401libgromacs_mpi.so.7.0.0 - impl_x86_avx_512_util_float.h:493-493 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Innermost1.955.365.36113.1591.6785.94111.04102010
992libgromacs_mpi.so.7.0.0 - kernel_outer.h:565-565 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost1.925.265.26164.2110097.02111120122
988libgromacs_mpi.so.7.0.0 - kernel_outer.h:541-544 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost1.514.154.15143.1697.6893.061.0111131032
982libgromacs_mpi.so.7.0.0 - stl_iterator.h:1107-1240 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost1.273.493.49122.7674.1668.071.471.021.311NANANANANA
986libgromacs_mpi.so.7.0.0 - kernel_outer.h:559-562 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost1.263.463.46147.8298.4941.0111130132
983libgromacs_mpi.so.7.0.0 - kernel_outer.h:581-581 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost1.153.153.15140.4310091.03111110121
21816libgromacs_mpi.so.7.0.0 - fft5d.cpp:947-949fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost1.052.882.8810.0033.3316.671.517.2101020
18654libgromacs_mpi.so.7.0.0 - lincs.cpp:282-284_INTERNAL1bba7552::gmx::lincs_matrix_expand(_INTERNAL1bba7552::gmx::Lincs const&, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ArrayRef<float const>, _INTERNAL1bba7552::gmx::ArrayRef<float>, _INTERNAL1bba7552::gmx::Array...Innermost0.922.532.5318.30100100111102001
21729libgromacs_mpi.so.7.0.0 - pme_spread.cpp:104-133 [...]_INTERNALae0e43be::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int)Single0.92.482.4812.4012.128.521.062.1316103005
1497libgromacs_mpi.so.7.0.0 - kernel_prune.cpp:109-151 [...]nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Innermost0.862.372.37146.5889.4782.241.1411101011
18659libgromacs_mpi.so.7.0.0 - lincs.cpp:368-383_INTERNAL1bba7552::gmx::lincs_update_atoms_noind(int, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float, _INTERNAL1bba7552::gmx::ArrayRef<float const>, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::Ba...Single0.762.072.0712.0006.251.131.4816103011
2693libgromacs_mpi.so.7.0.0 - pairlist_simd_2xmm.h:130-176 [...]_INTERNALb293ce76::makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.691.891.8914.8373.8239.31.421.161.7413.5100.50
21183libgromacs_mpi.so.7.0.0 - pairs.cpp:863-935 [...]void _INTERNAL5738f0d5::do_pairs_simple<gmx::SimdFloat, 16, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float>, float)Single0.531.461.4614.1325.4828.451.3311.31NANANANANA
18662libgromacs_mpi.so.7.0.0 - lincs.cpp:798-828 [...]_INTERNAL1bba7552::gmx::__regcall3__calc_dr_x_xp_simd(int, int, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float const (*) [3], float const (*) [3], float const*, float const*, float const*, float (*) [3], float*, floa...Single0.51.361.3613.0610094.59111125014
18646libgromacs_mpi.so.7.0.0 - lincs.cpp:1087-1089 [...]_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*...Innermost0.461.271.2711.3906.251.061.216113010
2671libgromacs_mpi.so.7.0.0 - pairlist.cpp:2966-3474 [...]void _INTERNALb293ce76::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, ...InBetween0.391.061.0610.853.417.241.832.5815.61NANANANANA
20843libgromacs_mpi.so.7.0.0 - bonded.cpp:1151-1255 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...Single0.381.061.05112.1947.2750.672.1311.451NANANANANA
2672libgromacs_mpi.so.7.0.0 - pairlist.cpp:3407-3411 [...]void _INTERNALb293ce76::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, ...Innermost0.371.011.0110.1606.251.211.2816100100
19336libgromacs_mpi.so.7.0.0 - update.cpp:481-481 [...]std::enable_if<std::is_same<float [3], float [3]>::value||std::is_same<float [3], float const [3]>::value, void>::type _INTERNAL568e5334::updateMDLeapfrogSimpleSimd<(StoreUpdatedVelocities)0, float [3]>(int, int, float, gmx::ArrayRe...Single0.360.980.9714.451001001.0311105000
21179libgromacs_mpi.so.7.0.0 - pairs.cpp:125-824 [...]float _INTERNAL5738f0d5::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>, gmx::ArrayRef<float>, gm...Single0.330.910.9111.226.258.111.71.6519.781NANANANANA
17834libgromacs_mpi.so.7.0.0 - calc_verletbuf.cpp:530-721 [...]_INTERNALc226143a::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, float)Innermost0.310.860.8611.726.839.111.772.421NANANANANA
1588libgromacs_mpi.so.7.0.0 - atomdata.cpp:1173-1179 [...]_INTERNALa817b2b7::nbnxn_atomdata_add_nbat_f_to_f_part(Nbnxm::GridSet const&, nbnxn_atomdata_t const&, nbnxn_atomdata_output_t const&, int, int, float (*) [3])Single0.30.810.8111.0506.251.471.5716102010
20945libgromacs_mpi.so.7.0.0 - bonded.cpp:129-2014 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3],...Outermost0.280.780.7811.872.877.481.291.1814.291NANANANANA
1580libgromacs_mpi.so.7.0.0 - atomdata.cpp:226-236copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.270.750.7510.0006.251116101600
20856libgromacs_mpi.so.7.0.0 - bonded.cpp:2059-2126 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc con...Single0.250.70.713.2017.0615.422.5312.371NANANANANA
995libgromacs_mpi.so.7.0.0 - kernel_outer.h:541-544 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.210.590.59144.8898.8895.811.0111130132
993libgromacs_mpi.so.7.0.0 - kernel_outer.h:559-562 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.20.560.56150.7199.0196.281.0111130132
19339libgromacs_mpi.so.7.0.0 - update.cpp:1638-1641L__ZN3gmx6Update4Impl13finish_updateERK10t_inputrecbiNS_8ArrayRefIKtEEP7t_stateP13gmx_wallcycleb_1637__par_region0_2_148Single0.20.550.5510.0006.251116102000
2123libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]clearForceBuffer(nbnxn_atomdata_t*, int)Single0.190.530.5310.0009.381111101000
21637libgromacs_mpi.so.7.0.0 - pme_solve.cpp:98-561 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Outermost0.190.520.52120.1546.0848.272.781.031.381NANANANANA
5128libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:200-200 [...]L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127Innermost0.180.490.4910.9406.251.331.6716100400
989libgromacs_mpi.so.7.0.0 - stl_iterator.h:1107-1240 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost0.180.50.5137.1269.3464.451.451.031.351NANANANANA
19100libgromacs_mpi.so.7.0.0 - settle.cpp:423-649 [...]void _INTERNAL4f3e572d::gmx::settleTemplate<_INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFBool, 16, float const*, true, false>(_INTERNAL4f3e572d::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float...Single0.180.480.48136.0099.0298.91.0811130020
19162libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]_INTERNALc6865387::setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*)Single0.180.490.4910.0009.671113.59101000
18774libgromacs_mpi.so.7.0.0 - md_support.cpp:139-157 [...]L__ZN17_INTERNAL727fa8dd19calc_ke_part_normalEN3gmx8ArrayRefIKNS0_11BasicVectorIfEEEEPK9t_grpoptsPK9t_mdatomsP14gmx_ekindata_tP6t_nrnbb_113__par_region0_2_11Innermost0.170.450.4513.441.757.041.171.4218.461NANANANANA
990libgromacs_mpi.so.7.0.0 - kernel_outer.h:581-581 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.160.450.45145.6910093.58111120121
2692libgromacs_mpi.so.7.0.0 - pairlist_simd_2xmm.h:185-231 [...]_INTERNALb293ce76::makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.160.440.4417.1874.8539.031.321.161.7613.5000.51
18657libgromacs_mpi.so.7.0.0 - lincs.cpp:919-930 [...]_INTERNAL1bba7552::gmx::__regcall3__calc_dist_iter_simd(int, int, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float const (*) [3], float const*, float const*, float const*, float, float*, float*, bool*)Single0.150.420.4217.6210092.37111115002
21813libgromacs_mpi.so.7.0.0 - fft5d.cpp:899-1382 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.150.40.410.0007.51115.691NANANANANA
20932libgromacs_mpi.so.7.0.0 - bonded.cpp:445-1084 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...Single0.150.420.4213.176.48.371.062.2914.23120.5150
21806libgromacs_mpi.so.7.0.0 - fft5d.cpp:835-886 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.140.380.3810.0008.611114.871NANANANANA
984libgromacs_mpi.so.7.0.0 - kernel_outer.h:575-578 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.130.360.35140.2398.8290.661.0311130221
21643libgromacs_mpi.so.7.0.0 - pme_solve.cpp:234-238 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.090.240.24134.001001001.211123000
2691libgromacs_mpi.so.7.0.0 - pairlist_simd_2xmm.h:237-242 [...]_INTERNALb293ce76::makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.080.220.2218.005.888.821113.621NANANANANA
21660libgromacs_mpi.so.7.0.0 - pme_solve.cpp:441-454solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.080.220.2313.9614.298.931.041.0414.22117000
2703libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]_INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)InBetween0.070.20.210.0007.351115.021NANANANANA
18643libgromacs_mpi.so.7.0.0 - lincs.cpp:1155-1155 [...]_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*...Innermost0.070.180.1810.89100100111104000
21659libgromacs_mpi.so.7.0.0 - pme_solve.cpp:457-470solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.070.190.1913.2613.648.811.081.0814.29117000
19308libgromacs_mpi.so.7.0.0 - update.cpp:361-387 [...]_INTERNAL568e5334::do_update_md(int, int, float, long, float const (*) [3], float (*) [3], float (*) [3], float const (*) [3], TemperatureCoupling, PressureCoupling, int, int, gmx::ArrayRef<unsigned short const>, bool, gmx::ArrayRef<unsigned short...Single0.060.170.1712.8206.251.121.4216106010
2673libgromacs_mpi.so.7.0.0 - pairlist.cpp:3392-3396 [...]void _INTERNALb293ce76::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, ...Innermost0.050.140.1410.6406.251.291.3316100001
21639libgromacs_mpi.so.7.0.0 - pme_solve.cpp:555-561solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.050.140.14119.4310087.5111.1102000
3911libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]void _INTERNAL80d859f8::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...InBetween0.040.110.1110.0008.791136.571NANANANANA
21437libgromacs_mpi.so.7.0.0 - pme_grid.cpp:395-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Innermost0.040.120.1210.0008.59119.17110000
21644libgromacs_mpi.so.7.0.0 - pme_solve.cpp:534-543solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.040.110.11133.45100100111103000
2669libgromacs_mpi.so.7.0.0 - pairlist.cpp:2223-3507 [...]void _INTERNALb293ce76::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, ...InBetween0.040.110.1110.094.828.133.082.0814.51NANANANANA
21783libgromacs_mpi.so.7.0.0 - fft.cpp:115-123gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)Single0.040.10.1113.600101114.86110000
2680libgromacs_mpi.so.7.0.0 - pairlist.cpp:1981-1985 [...]_INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)Single0.040.110.1110.0006.25111610.510.500
21647libgromacs_mpi.so.7.0.0 - pme_solve.cpp:522-531solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.040.110.1111.73100100111103000
3941libgromacs_mpi.so.7.0.0 - localtopology.cpp:416-576 [...]int _INTERNAL80d859f8::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...Outermost0.040.120.1210.002.9210.464.45117.941NANANANANA
21464libgromacs_mpi.so.7.0.0 - pme_grid.cpp:496-539 [...]unwrap_periodic_pmegrid(gmx_pme_t*, float*)InBetween0.030.090.0910.0006.581115.671NANANANANA
17902libgromacs_mpi.so.7.0.0 - calcvir.cpp:61-81 [...]calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3])Single0.030.090.0915.3306.251.192.621610.52000
1496libgromacs_mpi.so.7.0.0 - kernel_prune.cpp:76-158 [...]nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Outermost0.030.090.09140.8934.8830.941.6711.6710.51.50.530.5
19099libgromacs_mpi.so.7.0.0 - settle.cpp:423-674 [...]void _INTERNAL4f3e572d::gmx::settleTemplate<_INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFBool, 16, float const*, true, true>(_INTERNAL4f3e572d::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*...Outermost0.030.080.08140.0098.7598.671.0811131030
2681libgromacs_mpi.so.7.0.0 - pairlist.cpp:1991-1995 [...]_INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)Single0.030.090.0910.0006.25111610.50.5100
20947libgromacs_mpi.so.7.0.0 - bonded.cpp:129-3032 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...Single0.030.090.0912.675.587.771.241.2913.941NANANANANA
21650libgromacs_mpi.so.7.0.0 - pme_solve.cpp:499-511solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.030.080.08137.0010091.03111.16116000
20860libgromacs_mpi.so.7.0.0 - bonded.cpp:1822-2327 [...]float _INTERNALc075c6e4::(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*...Single0.030.080.0812.004.018.321.291.9313.71121130
21458libgromacs_mpi.so.7.0.0 - pme_grid.cpp:440-442wrap_periodic_pmegrid(gmx_pme_t const*, float*)Innermost0.030.090.0910.4406.251.091.516102000
18780libgromacs_mpi.so.7.0.0 - mdatoms.cpp:328-497 [...]atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*)InBetween0.030.090.0910.0018.3511.472.272.918.071NANANANANA
2704libgromacs_mpi.so.7.0.0 - pairlist.cpp:607-1332 [...]_INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)Innermost0.030.090.0910.0006.251116100010
2702libgromacs_mpi.so.7.0.0 - pairlist.cpp:607-1420 [...]_INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)Outermost0.030.10.110.0009.381114.441NANANANANA
20857libgromacs_mpi.so.7.0.0 - bonded.cpp:2179-2256 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...Single0.030.070.0712.2912.7715.352.8213.111NANANANANA
21808libgromacs_mpi.so.7.0.0 - fft5d.cpp:884-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.030.090.0910.00012.5118100020
20946libgromacs_mpi.so.7.0.0 - bonded.cpp:1914-2008 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3],...Innermost0.030.080.0810.887.848.71.121.5813.71131010
21465libgromacs_mpi.so.7.0.0 - pme_grid.cpp:537-539unwrap_periodic_pmegrid(gmx_pme_t*, float*)Innermost0.030.070.0710.0006.251116102000
21434libgromacs_mpi.so.7.0.0 - pme_grid.cpp:301-303copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)Innermost0.030.080.0810.0008.651115110000
2670libgromacs_mpi.so.7.0.0 - pairlist.cpp:2966-3474 [...]void _INTERNALb293ce76::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, ...InBetween0.030.070.0712.575.267.41.562.1161NANANANANA
18645libgromacs_mpi.so.7.0.0 - lincs.cpp:1085-1089 [...]_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*...Outermost0.030.080.0811.38012.511810210.50
21453libgromacs_mpi.so.7.0.0 - pme_grid.cpp:433-442wrap_periodic_pmegrid(gmx_pme_t const*, float*)InBetween0.020.040.0410.2506.253.172.3161NANANANANA
21867libgromacs_mpi.so.7.0.0 - fft_mkl.cpp:483-506 [...]gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)Single0.020.040.04116.0001011161NANANANANA
1579libgromacs_mpi.so.7.0.0 - atomdata.cpp:226-236copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.020.050.0510.0006.251116101200
19168libgromacs_mpi.so.7.0.0 - sim_util.cpp:150-150 [...]_INTERNALc6865387::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...Single0.020.050.0513.0006.251.071.2516102000
991libgromacs_mpi.so.7.0.0 - kernel_outer.h:575-578 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.020.060.06134.6799.1493.16111130221
3907libgromacs_mpi.so.7.0.0 - localtopology.cpp:731-787 [...]void _INTERNAL80d859f8::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...InBetween0.020.060.0610.00011.011113.741NANANANANA
1991libgromacs_mpi.so.7.0.0 - grid.cpp:329-408 [...]_INTERNAL5ce61142::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)Outermost0.020.050.0510.4007.292.592.3814.931NANANANANA
3698libgromacs_mpi.so.7.0.0 - domdec_constraints.cpp:254-264 [...]_INTERNAL051658ea::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&...InBetween0.020.050.0510.0007.6411151NANANANANA
18644libgromacs_mpi.so.7.0.0 - lincs.cpp:1098-1098 [...]_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*...Single0.020.050.0513.20100100111103000
2682libgromacs_mpi.so.7.0.0 - pairlist.cpp:1998-2000_INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)Single0.020.050.0510.0006.251116101010
18666libgromacs_mpi.so.7.0.0 - lincs.cpp:1255-1324 [...]_INTERNAL1bba7552::gmx::set_lincs_matrix_task(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task*, _INTERNAL1bba7552::gmx::ArrayRef<float const>, int*, int*)InBetween0.020.050.0510.404.357.882.642.4315.131NANANANANA
3950libgromacs_mpi.so.7.0.0 - localtopology.cpp:505-513 [...]int _INTERNAL80d859f8::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...InBetween0.020.060.0610.0006.2511161NANANANANA
19160libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]_INTERNALc6865387::setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*)Single0.020.060.0610.0009.171112.03100200
1994libgromacs_mpi.so.7.0.0 - grid.cpp:415-420_INTERNAL5ce61142::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)Single0.020.050.0510.0006.2511161010.250.50
18637libgromacs_mpi.so.7.0.0 - lincs.cpp:1215-1223 [...]_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*...Single0.020.060.0614.17471.031.0814.5122100
21784libgromacs_mpi.so.7.0.0 - fft.cpp:132-140gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)Single0.020.060.06126.670101114.86110000
1983libgromacs_mpi.so.7.0.0 - grid.cpp:823-834_INTERNAL5ce61142::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<int>, int*)Innermost0.010.030.0310.0007.741114.9102001
5502libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]_INTERNALd0075a52::mk_grey(gmx::ArrayRef<egCol>, t_graph*, int*, int, float const (*) [3], float const (*) [3], int*)Outermost0.010.010.0111.0011.348.922.51.8322.031NANANANANA
19493libgromacs_mpi.so.7.0.0 - vcm.cpp:189-203 [...]calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_vcm*)Single0.010.020.0210.0006.251.061.0616112000
4133libgromacs_mpi.so.7.0.0 - stl_algobase.h:383-385 [...]void _INTERNAL83cfe191::orderVector<gmx::BasicVector<float> >(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >)Single0.010.020.0210.0006.251116102000
4286libgromacs_mpi.so.7.0.0 - redistribute.cpp:349-421 [...]_INTERNAL3b86f157::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>)InBetween0.010.030.0310.002.026.831.812.0625.361NANANANANA
2005libgromacs_mpi.so.7.0.0 - grid.cpp:1241-1311 [...]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>)Single0.010.020.0210.5007.352.422.7814.911NANANANANA
2668libgromacs_mpi.so.7.0.0 - pairlist.cpp:2223-3507 [...]void _INTERNALb293ce76::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, ...InBetween0.010.030.0311.005.887.541.461.56161NANANANANA
5253libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:78-80 [...]gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Outermost0.010.040.0410.0045.4540.341.7411.171NANANANANA
21652libgromacs_mpi.so.7.0.0 - pme_solve.cpp:486-496solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.030.03116.0010092.11111.17103000
19098libgromacs_mpi.so.7.0.0 - settle.cpp:661-673 [...]void _INTERNAL4f3e572d::gmx::settleTemplate<_INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFBool, 16, float const*, true, true>(_INTERNAL4f3e572d::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*...Innermost0.010.010.01132.00100100111100010
21121libgromacs_mpi.so.7.0.0 - manage_threading.cpp:365-367 [...]setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)Innermost0.010.030.0310.00012.5118101001
2665libgromacs_mpi.so.7.0.0 - pairlist.cpp:2223-3512 [...]void _INTERNALb293ce76::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, ...InBetween0.010.010.0110.003.78.562.912.1814.41NANANANANA
2667libgromacs_mpi.so.7.0.0 - pairlist.cpp:2223-3507 [...]void _INTERNALb293ce76::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, ...InBetween0.010.010.0111.0010.818.951.741.5215.111NANANANANA
2688libgromacs_mpi.so.7.0.0 - pairlist.cpp:272-276void _INTERNALb293ce76::get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)Single0.010.010.0110.00201012.1216100000
21441libgromacs_mpi.so.7.0.0 - pme_grid.cpp:469-471wrap_periodic_pmegrid(gmx_pme_t const*, float*)Innermost0.010.010.0110.00100100111102000
21817libgromacs_mpi.so.7.0.0 - fft5d.cpp:947-949fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.010.020.0210.00012.5118101010
21449libgromacs_mpi.so.7.0.0 - pme_grid.cpp:453-455wrap_periodic_pmegrid(gmx_pme_t const*, float*)Innermost0.010.010.01116.00100100111102000
2687libgromacs_mpi.so.7.0.0 - pairlist.cpp:281-285void _INTERNALb293ce76::get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)Single0.010.030.0311.0014.298.931.082.9716120000
1951libgromacs_mpi.so.7.0.0 - range.h:84-88 [...]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*)Single0.010.010.0110.0006.251116111012
3712libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]_INTERNAL051658ea::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> >*)InBetween0.010.040.0410.003.2511.043.93110.421NANANANANA
5126libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:171-211 [...]L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127Outermost0.010.030.0311.3309.211113.611NANANANANA
21812libgromacs_mpi.so.7.0.0 - fft5d.cpp:899-1382 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.010.010.0110.0006.651115.411NANANANANA
1569libgromacs_mpi.so.7.0.0 - atomdata.cpp:1006-1011 [...]L__Z31nbnxn_atomdata_copy_x_to_nbat_xRKN5Nbnxm7GridSetEN3gmx12AtomLocalityEPA3_KfP16nbnxn_atomdata_t_993__par_region0_2_45Innermost0.010.020.0210.0009.821113.71132113
21445libgromacs_mpi.so.7.0.0 - pme_grid.cpp:433-451 [...]wrap_periodic_pmegrid(gmx_pme_t const*, float*)Outermost0.010.010.0110.0007.191114.631NANANANANA
3711libgromacs_mpi.so.7.0.0 - domdec_constraints.cpp:314-375 [...]_INTERNAL051658ea::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> >*)Outermost0.010.030.0310.0008.851114.381NANANANANA
21815libgromacs_mpi.so.7.0.0 - fft5d.cpp:947-949fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.010.020.0210.00012.5118101010
3927libgromacs_mpi.so.7.0.0 - stl_algo.h:571-583 [...]_INTERNAL80d859f8::atomInMolblockFromGlobalAtomnr(gmx::ArrayRef<MolblockIndices const>, int)Single0.010.020.0210.0008.331115.3100010
21120libgromacs_mpi.so.7.0.0 - manage_threading.cpp:363-367 [...]setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)InBetween0.010.030.0310.0008.161114.8411.330.6700.670
4134libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]void _INTERNAL83cfe191::orderVector<gmx::BasicVector<float> >(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >)Single0.010.020.0210.0008.241115.13101210
128gmx_mpi - __intel_skx_avx512_memsetSingle0.010.020.0210.00100100111101000
18696libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]_INTERNAL1bba7552::gmx::set_matrix_indices(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ListOfLists<int> const&, bool)Innermost0.010.010.0110.00010.161112.68111200.5
20950libgromacs_mpi.so.7.0.0 - bonded.cpp:129-2327 [...]float _INTERNALc075c6e4::(anonymous namespace)::idihs<(BondedKernelFlavor)2>(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*...Single0.010.020.0210.502.878.011.31.514.1412115.50
2678libgromacs_mpi.so.7.0.0 - pairlist.cpp:281-285void _INTERNALb293ce76::get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)Single0.010.030.0310.3314.298.931.082.9716120000
3942libgromacs_mpi.so.7.0.0 - idef.h:245-247 [...]int _INTERNAL80d859f8::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...Innermost0.010.010.0110.0006.251116112000
21655libgromacs_mpi.so.7.0.0 - pme_solve.cpp:234-238 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.010.01196.001001001.211123000
3697libgromacs_mpi.so.7.0.0 - domdec_constraints.cpp:234-282 [...]_INTERNAL051658ea::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&...Outermost0.010.030.0310.005.3311.922.87113.191NANANANANA
4185libgromacs_mpi.so.7.0.0 - partition.cpp:525-533 [...]_INTERNAL83cfe191::make_dd_indices(gmx_domdec_t*, int)InBetween0.010.010.0110.004.5510.531112.161NANANANANA
21657libgromacs_mpi.so.7.0.0 - pme_solve.cpp:473-475solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.010.0112.001001001.1711112000
3962libgromacs_mpi.so.7.0.0 - range.h:84-88 [...]int _INTERNAL80d859f8::make_bondeds_zone<true>(gmx_reverse_top_t const&, gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector<gmx_molblock_t, std::allocator<gmx_molblock_t> > const&, b...Outermost0.010.020.0210.008.79.787.78111.431NANANANANA
2679libgromacs_mpi.so.7.0.0 - pairlist.cpp:272-276void _INTERNALb293ce76::get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)Single0.010.020.0211.50201012.1216100000
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