Name | Module | Coverage run_0 (%) | Coverage Excluding Loops run_0 (%) | Max Inclusive Time Over Threads run_0 (s) | Max Exclusive Time Over Threads run_0 (s) | Inclusive Time w.r.t. Wall Time run_0 (s) | Exclusive Time w.r.t. Wall Time run_0 (s) | Nb Threads run_0 | Deviation (coverage) run_0 | Deviation (walltime) run_0 | Categories run_0 | Compilation Options |
►void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...+ | libgromacs_mpi.so.9.0.0 | 27.35 | 0.00 | 5.80 | 0.02 | 4.46 | 0.00 | 128 | 5.46 | 0.29 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 834 - simd_kernel.h:273-545 - libgromacs_mpi.so.9.0.0 [...]+ | | 27.35 | 0.74 | 9.20 | 0.22 | 4.46 | 0.12 | 128 | 0.27 | 0.03 | | |
○Loop 835 - simd_kernel.h:518-518 - libgromacs_mpi.so.9.0.0 [...] | | 0.52 | 0.52 | 0.50 | 0.50 | 0.09 | 0.09 | 59 | 1.54 | 0.19 | | |
○Loop 836 - simd_kernel.h:510-513 - libgromacs_mpi.so.9.0.0 [...] | | 0.03 | 0.03 | 0.06 | 0.06 | 0.01 | 0.01 | 40 | 0.12 | 0.02 | | |
○Loop 838 - impl_x86_avx_512_simd_float.h:70-461 - libgromacs_mpi.so.9.0.0 [...] | | 0.51 | 0.51 | 0.21 | 0.21 | 0.08 | 0.08 | 121 | 0.50 | 0.06 | | |
○Loop 839 - simd_kernel.h:476-476 - libgromacs_mpi.so.9.0.0 [...] | | 18.52 | 18.52 | 5.43 | 5.43 | 3.02 | 3.02 | 128 | 9.54 | 1.13 | | |
○Loop 837 - simd_kernel.h:497-497 - libgromacs_mpi.so.9.0.0 [...] | | 6.37 | 6.37 | 2.53 | 2.53 | 1.04 | 1.04 | 128 | 6.29 | 0.79 | | |
○Loop 840 - impl_x86_avx_512_simd_float.h:70-461 - libgromacs_mpi.so.9.0.0 [...] | | 0.66 | 0.66 | 0.23 | 0.23 | 0.11 | 0.11 | 128 | 0.31 | 0.04 | | |
○__kmp_hyper_barrier_release(barrier_type, kmp_info*, int, int, int, void*) | libomp.so | 14.91 | 14.91 | 4.38 | 4.38 | 2.43 | 2.43 | 191 | 12.48 | 1.43 | OMP (%): 100.00 | |
○__kmp_hardware_timestamp | libomp.so | 14.88 | 14.88 | 4.20 | 4.20 | 2.43 | 2.43 | 192 | 11.66 | 1.31 | OMP (%): 100.00 | |
○ADIOI_GEN_SetLockDirect64 | libmpi.so.12.0.0 | 6.17 | 6.17 | 5.74 | 5.74 | 1.01 | 1.01 | 48 | 10.15 | 1.63 | MPI (%): 100.00 | |
►void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...+ | libgromacs_mpi.so.9.0.0 | 4.92 | 0.00 | 1.05 | 0.01 | 0.80 | 0.00 | 128 | 0.98 | 0.05 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 841 - simd_kernel.h:273-555 - libgromacs_mpi.so.9.0.0 [...]+ | | 4.92 | 0.09 | 1.72 | 0.05 | 0.80 | 0.02 | 125 | 0.08 | 0.01 | | |
○Loop 843 - simd_kernel.h:510-513 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 22 | 0.03 | 0.00 | | |
○Loop 842 - simd_kernel.h:518-518 - libgromacs_mpi.so.9.0.0 [...] | | 0.07 | 0.07 | 0.09 | 0.09 | 0.01 | 0.01 | 39 | 0.20 | 0.02 | | |
○Loop 847 - impl_x86_avx_512_simd_float.h:70-461 - libgromacs_mpi.so.9.0.0 [...] | | 0.10 | 0.10 | 0.06 | 0.06 | 0.02 | 0.02 | 124 | 0.09 | 0.01 | | |
○Loop 844 - simd_kernel.h:497-497 - libgromacs_mpi.so.9.0.0 [...] | | 1.15 | 1.15 | 0.47 | 0.47 | 0.19 | 0.19 | 128 | 1.14 | 0.14 | | |
○Loop 846 - simd_kernel.h:476-476 - libgromacs_mpi.so.9.0.0 [...] | | 3.40 | 3.40 | 0.97 | 0.97 | 0.55 | 0.55 | 128 | 1.69 | 0.20 | | |
○Loop 845 - impl_x86_avx_512_simd_float.h:70-461 - libgromacs_mpi.so.9.0.0 [...] | | 0.10 | 0.10 | 0.07 | 0.07 | 0.02 | 0.02 | 109 | 0.10 | 0.01 | | |
○f64xsubf128 | libm.so.6 | 2.23 | 2.23 | 1.48 | 1.48 | 0.36 | 0.36 | 124 | 3.54 | 0.58 | Math (%): 100.00 | |
○energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*) | libgromacs_mpi.so.9.0.0 | 2.01 | 2.01 | 1.38 | 1.38 | 0.33 | 0.33 | 48 | 1.54 | 0.25 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)+ | libgromacs_mpi.so.9.0.0 | 1.72 | 0.00 | 0.96 | 0.00 | 0.28 | 0.00 | 64 | 1.79 | 0.17 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 17265 - pme_gather.cpp:103-348 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.72 | 1.72 | 0.96 | 0.96 | 0.28 | 0.28 | 64 | 1.79 | 0.17 | | |
○Loop 17264 - pme_gather.cpp:247-260 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 17267 - pme_gather.cpp:103-124 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 17268 - pme_gather.cpp:109-124 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17266 - pme_gather.cpp:116-120 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17269 - pme_gather.cpp:116-120 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)1, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...+ | libgromacs_mpi.so.9.0.0 | 1.68 | 0.00 | 0.41 | 0.01 | 0.27 | 0.00 | 128 | 0.43 | 0.04 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 708 - simd_kernel.h:273-545 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.68 | 0.04 | 0.72 | 0.02 | 0.27 | 0.01 | 93 | 0.05 | 0.01 | | |
○Loop 710 - simd_kernel.h:510-513 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 10 | 0.01 | 0.00 | | |
○Loop 709 - simd_kernel.h:518-518 - libgromacs_mpi.so.9.0.0 [...] | | 0.04 | 0.04 | 0.05 | 0.05 | 0.01 | 0.01 | 35 | 0.11 | 0.01 | | |
○Loop 711 - simd_kernel.h:497-497 - libgromacs_mpi.so.9.0.0 [...] | | 0.38 | 0.38 | 0.19 | 0.19 | 0.06 | 0.06 | 121 | 0.39 | 0.05 | | |
○Loop 714 - impl_x86_avx_512_simd_float.h:70-461 - libgromacs_mpi.so.9.0.0 [...] | | 0.03 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 94 | 0.04 | 0.00 | | |
○Loop 712 - impl_x86_avx_512_simd_float.h:70-461 - libgromacs_mpi.so.9.0.0 [...] | | 0.03 | 0.03 | 0.02 | 0.02 | 0.00 | 0.00 | 69 | 0.04 | 0.00 | | |
○Loop 713 - simd_kernel.h:476-476 - libgromacs_mpi.so.9.0.0 [...] | | 1.16 | 1.16 | 0.40 | 0.40 | 0.19 | 0.19 | 128 | 0.63 | 0.07 | | |
○erfcf | libm.so.6 | 1.66 | 1.66 | 1.15 | 1.15 | 0.27 | 0.27 | 48 | 1.31 | 0.21 | Math (%): 100.00 | |
○MPIDI_SHMGR_Gather | libmpi.so.12.0.0 | 1.64 | 1.64 | 1.98 | 1.98 | 0.27 | 0.27 | 48 | 4.82 | 0.78 | MPI (%): 100.00 | |
►.omp_outlined..9#0x65dd70+ | libgromacs_mpi.so.9.0.0 | 1.52 | 0.00 | 0.37 | 0.00 | 0.25 | 0.00 | 128 | 0.36 | 0.03 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 1699 - pairlist.cpp:3639-3639 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1743 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.52 | 0.00 | 0.80 | 0.00 | 0.25 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1742 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.52 | 0.00 | 0.80 | 0.00 | 0.25 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1741 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.52 | 0.00 | 0.80 | 0.00 | 0.25 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1740 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.52 | 0.00 | 0.80 | 0.00 | 0.25 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1739 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.52 | 0.00 | 0.80 | 0.00 | 0.25 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1738 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.52 | 0.00 | 0.80 | 0.00 | 0.25 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1737 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.52 | 0.03 | 0.80 | 0.02 | 0.25 | 0.01 | 93 | 0.04 | 0.00 | | |
○Loop 1749 - pairlist.cpp:1279-1282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 14 | 0.01 | 0.00 | | |
○Loop 1779 - stl_algobase.h:911-912 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 7 | 0.01 | 0.00 | | |
○Loop 1765 - stl_uninitialized.h:318-318 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1776 - pairlist.cpp:2092-2096 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 33 | 0.01 | 0.00 | | |
►Loop 1744 - pairlist.cpp:1330-1430 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.07 | 0.02 | 0.08 | 0.01 | 0.01 | 0.00 | 65 | 0.02 | 0.00 | | |
►Loop 1745 - pairlist.cpp:1330-1430 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.03 | 0.02 | 0.03 | 0.03 | 0.00 | 0.00 | 74 | 0.04 | 0.00 | | |
○Loop 1746 - pairlist.cpp:1341-1347 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 17 | 0.00 | 0.00 | | |
►Loop 1747 - pairlist.cpp:1330-1430 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.03 | 0.02 | 0.03 | 0.02 | 0.00 | 0.00 | 65 | 0.03 | 0.00 | | |
○Loop 1748 - pairlist.cpp:1341-1347 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 41 | 0.02 | 0.00 | | |
○Loop 1773 - pairlist.cpp:2099-2101 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 11 | 0.01 | 0.00 | | |
○Loop 1774 - pairlist.cpp:2099-2101 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
►Loop 1750 - pairlist.cpp:162-4104 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.29 | 0.05 | 0.50 | 0.04 | 0.21 | 0.01 | 112 | 0.05 | 0.01 | | |
►Loop 1751 - pairlist.cpp:162-4104 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.24 | 0.58 | 0.47 | 0.17 | 0.20 | 0.09 | 128 | 0.20 | 0.02 | | |
○Loop 1764 - pairlist.cpp:3503-3505 - libgromacs_mpi.so.9.0.0 [...] | | 0.26 | 0.26 | 0.09 | 0.09 | 0.04 | 0.04 | 128 | 0.13 | 0.02 | | |
○Loop 1752 - pairlist.cpp:3113-3113 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 59 | 0.02 | 0.00 | | |
►Loop 1753 - vector.tcc:477-504 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.04 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 97 | 0.04 | 0.00 | | |
○Loop 1754 - stl_uninitialized.h:318-318 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1755 - new_allocator.h:162-162 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1762 - pairlist.cpp:376-1046 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1763 - pairlist.cpp:3518-3520 - libgromacs_mpi.so.9.0.0 [...] | | 0.03 | 0.03 | 0.05 | 0.05 | 0.01 | 0.01 | 33 | 0.08 | 0.01 | | |
►Loop 1758 - vector.tcc:477-504 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1760 - new_allocator.h:162-162 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1759 - stl_uninitialized.h:318-318 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1757 - pairlist_simd_2xmm.h:130-174 - libgromacs_mpi.so.9.0.0 [...] | | 0.25 | 0.25 | 0.09 | 0.09 | 0.04 | 0.04 | 128 | 0.13 | 0.02 | | |
○Loop 1756 - pairlist_simd_2xmm.h:185-229 - libgromacs_mpi.so.9.0.0 [...] | | 0.07 | 0.07 | 0.04 | 0.04 | 0.01 | 0.01 | 117 | 0.06 | 0.01 | | |
○Loop 1761 - pairlist.cpp:376-1091 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1778 - pairlist.cpp:2082-2086 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 38 | 0.02 | 0.00 | | |
○Loop 1777 - pairlist.cpp:2082-2086 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 7 | 0.02 | 0.00 | | |
○Loop 1775 - pairlist.cpp:2092-2096 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0.01 | 0.00 | | |
○Loop 1780 - stl_algobase.h:911-912 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1736 - pairlist.cpp:233-4126 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.10 | 0.01 | 0.13 | 0.01 | 0.02 | 0.00 | 44 | 0.01 | 0.00 | | |
○Loop 1767 - pairlist.cpp:282-286 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 35 | 0.03 | 0.00 | | |
○Loop 1766 - pairlist.cpp:291-293 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 36 | 0.02 | 0.00 | | |
►Loop 1735 - pairlist.cpp:233-4126 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.07 | 0.02 | 0.08 | 0.02 | 0.01 | 0.00 | 72 | 0.03 | 0.00 | | |
►Loop 1770 - pairlist.cpp:233-4126 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.02 | 0.00 | 0.03 | 0.00 | 0.00 | 0.00 | 19 | 0.00 | 0.00 | | |
►Loop 1732 - pairlist.cpp:233-4126 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0.01 | 0.00 | | |
○Loop 1733 - pairlist.cpp:2996-2996 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1695 - pairlist.cpp:233-4126 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1696 - pairlist.cpp:254-4126 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1731 - pairlist.cpp:2883-2886 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1697 - pairlist.cpp:254-4126 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1698 - pairlist.cpp:254-4126 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1730 - pairlist.cpp:282-286 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1702 - pairlist.cpp:254-4126 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1705 - pairlist.cpp:894-1937 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1706 - pairlist.cpp:894-1937 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1707 - pairlist.cpp:894-1919 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1708 - grid.h:239-295 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1709 - pairlist.cpp:894-1919 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1710 - stl_uninitialized.h:1031-1031 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1728 - pairlist.cpp:282-286 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1715 - pairlist.cpp:1279-1282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1716 - pairlist.cpp:405-3561 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1717 - pairlist.cpp:405-3561 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1718 - pairlist.cpp:405-3065 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1719 - stl_vector.h:353-1798 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1723 - impl_x86_avx_512_simd4_float.h:55-261 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1721 - stl_uninitialized.h:1031-1031 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1720 - stl_uninitialized.h:1031-1031 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1722 - stl_uninitialized.h:1031-1031 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1724 - pairlist.cpp:3518-3520 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1725 - pairlist.cpp:3503-3505 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1703 - stl_vector.h:346-1762 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1704 - stl_uninitialized.h:1031-1031 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1701 - pairlist.cpp:2448-2459 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1726 - stl_uninitialized.h:1031-1031 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1727 - pairlist.cpp:291-293 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1711 - pairlist.cpp:894-2039 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1712 - pairlist.cpp:894-2039 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1714 - pairlist.cpp:1341-1347 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1713 - stl_uninitialized.h:1031-1031 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1700 - pairlist.cpp:2333-2342 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1729 - pairlist.cpp:291-293 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1734 - pairlist.cpp:2996-2996 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1771 - pairlist.cpp:2868-3308 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.01 | 0.02 | 0.01 | 0.00 | 0.00 | 23 | 0.02 | 0.00 | | |
○Loop 1772 - pairlist.cpp:2883-2886 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 26 | 0.02 | 0.00 | | |
○Loop 1769 - pairlist.cpp:282-286 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 52 | 0.02 | 0.00 | | |
○Loop 1768 - pairlist.cpp:291-293 - libgromacs_mpi.so.9.0.0 [...] | | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 60 | 0.02 | 0.00 | | |
►.omp_outlined..2+ | libgromacs_mpi.so.9.0.0 | 1.47 | 0.00 | 0.82 | 0.01 | 0.24 | 0.00 | 64 | 1.57 | 0.15 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 17540 - pme_spread.cpp:188-990 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.47 | 0.00 | 1.01 | 0.01 | 0.24 | 0.00 | 18 | 0.02 | 0.00 | | |
►Loop 17541 - pme_spread.cpp:439-447 - libgromacs_mpi.so.9.0.0+ | | 0.11 | 0.00 | 0.12 | 0.00 | 0.02 | 0.00 | 3 | 0.00 | 0.00 | | |
►Loop 17542 - pme_spread.cpp:441-447 - libgromacs_mpi.so.9.0.0+ | | 0.11 | 0.01 | 0.11 | 0.01 | 0.02 | 0.00 | 27 | 0.02 | 0.00 | | |
○Loop 17546 - pme_spread.cpp:445-447 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 0.02 | 0.00 | | |
○Loop 17544 - pme_spread.cpp:445-447 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17545 - pme_spread.cpp:445-447 - libgromacs_mpi.so.9.0.0 | | 0.10 | 0.10 | 0.09 | 0.09 | 0.02 | 0.02 | 64 | 0.22 | 0.02 | | |
○Loop 17543 - pme_spread.cpp:445-447 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 17547 - pme_spread.cpp:358-400 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.79 | 0.79 | 0.49 | 0.49 | 0.13 | 0.13 | 64 | 0.85 | 0.08 | | |
►Loop 17548 - pme_spread.cpp:400-400 - libgromacs_mpi.so.9.0.0+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 17549 - pme_spread.cpp:400-400 - libgromacs_mpi.so.9.0.0+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17551 - pme_spread.cpp:400-400 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17553 - pme_spread.cpp:400-400 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17552 - pme_spread.cpp:400-400 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17550 - pme_spread.cpp:400-400 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 17565 - pme_spread.cpp:188-199 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.04 | 0.01 | 0.00 | 0.00 | 11 | 0.03 | 0.00 | | |
○Loop 17566 - pme_spread.cpp:197-199 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
○Loop 17568 - pme_spread.cpp:199-199 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 23 | 0.02 | 0.00 | | |
○Loop 17567 - pme_spread.cpp:197-199 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
►Loop 17561 - pme_spread.cpp:188-199 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 7 | 0.00 | 0.00 | | |
○Loop 17562 - pme_spread.cpp:197-199 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17563 - pme_spread.cpp:197-199 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17564 - pme_spread.cpp:197-199 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 0.02 | 0.00 | | |
►Loop 17554 - pme_spread.cpp:277-975 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.55 | 0.55 | 0.33 | 0.33 | 0.09 | 0.09 | 64 | 0.62 | 0.06 | | |
►Loop 17555 - pme_spread.cpp:292-292 - libgromacs_mpi.so.9.0.0+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 17559 - pme_spread.cpp:292-292 - libgromacs_mpi.so.9.0.0+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17560 - pme_spread.cpp:292-292 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17558 - pme_spread.cpp:292-292 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17556 - pme_spread.cpp:292-292 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17557 - pme_spread.cpp:292-292 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+ | libgromacs_mpi.so.9.0.0 | 1.39 | 0.00 | 0.73 | 0.01 | 0.23 | 0.00 | 64 | 0.87 | 0.06 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 17631 - wallcycle.h:391-498 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.39 | 0.01 | 1.04 | 0.01 | 0.23 | 0.00 | 40 | 0.02 | 0.00 | | |
►Loop 17632 - fft5d.cpp:887-918 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.34 | 0.00 | 0.26 | 0.00 | 0.05 | 0.00 | 5 | 0.01 | 0.00 | | |
►Loop 17633 - fft5d.cpp:908-918 - libgromacs_mpi.so.9.0.0+ | | 0.34 | 0.00 | 0.26 | 0.00 | 0.05 | 0.00 | 9 | 0.01 | 0.00 | | |
○Loop 17637 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 18 | 0.02 | 0.00 | | |
►Loop 17634 - fft5d.cpp:912-918 - libgromacs_mpi.so.9.0.0+ | | 0.33 | 0.00 | 0.24 | 0.01 | 0.05 | 0.00 | 8 | 0.02 | 0.00 | | |
○Loop 17635 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.0 | | 0.16 | 0.16 | 0.12 | 0.12 | 0.03 | 0.03 | 64 | 0.18 | 0.02 | | |
○Loop 17636 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.0 | | 0.17 | 0.17 | 0.11 | 0.11 | 0.03 | 0.03 | 64 | 0.16 | 0.02 | | |
►Loop 17644 - fft5d.cpp:758-789 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.41 | 0.00 | 0.31 | 0.00 | 0.07 | 0.00 | 14 | 0.01 | 0.00 | | |
►Loop 17645 - fft5d.cpp:779-789 - libgromacs_mpi.so.9.0.0+ | | 0.41 | 0.01 | 0.30 | 0.01 | 0.07 | 0.00 | 25 | 0.02 | 0.00 | | |
►Loop 17646 - fft5d.cpp:783-789 - libgromacs_mpi.so.9.0.0+ | | 0.39 | 0.03 | 0.27 | 0.03 | 0.06 | 0.01 | 57 | 0.06 | 0.01 | | |
○Loop 17647 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.0 | | 0.17 | 0.17 | 0.13 | 0.13 | 0.03 | 0.03 | 64 | 0.19 | 0.02 | | |
○Loop 17648 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.0 | | 0.19 | 0.19 | 0.11 | 0.11 | 0.03 | 0.03 | 64 | 0.19 | 0.02 | | |
○Loop 17649 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 36 | 0.03 | 0.00 | | |
►Loop 17638 - fft5d.cpp:823-855 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.63 | 0.00 | 0.45 | 0.01 | 0.10 | 0.00 | 4 | 0.01 | 0.00 | | |
►Loop 17639 - fft5d.cpp:845-855 - libgromacs_mpi.so.9.0.0+ | | 0.63 | 0.01 | 0.44 | 0.01 | 0.10 | 0.00 | 21 | 0.02 | 0.00 | | |
►Loop 17640 - fft5d.cpp:849-855 - libgromacs_mpi.so.9.0.0+ | | 0.63 | 0.04 | 0.43 | 0.04 | 0.10 | 0.01 | 64 | 0.07 | 0.01 | | |
○Loop 17643 - fft5d.cpp:855-855 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17642 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.0 | | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 45 | 0.05 | 0.01 | | |
○Loop 17641 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.0 | | 0.57 | 0.57 | 0.36 | 0.36 | 0.09 | 0.09 | 64 | 0.47 | 0.04 | | |
○MPIR_Progress_hook_exec_on_vci | libmpi.so.12.0.0 | 0.89 | 0.89 | 0.86 | 0.86 | 0.15 | 0.15 | 48 | 1.45 | 0.23 | MPI (%): 100.00 | |
►copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)+ | libgromacs_mpi.so.9.0.0 | 0.87 | 0.28 | 0.35 | 0.12 | 0.14 | 0.05 | 128 | 0.49 | 0.05 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 1319 - atomdata.cpp:180-184 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1325 - atomdata.cpp:193-200 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1323 - atomdata.cpp:226-233 - libgromacs_mpi.so.9.0.0 | | 0.58 | 0.58 | 0.26 | 0.26 | 0.10 | 0.10 | 128 | 0.40 | 0.04 | | |
○Loop 1328 - atomdata.cpp:165-165 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1324 - atomdata.cpp:207-214 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1322 - atomdata.cpp:240-247 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
○Loop 1320 - atomdata.cpp:180-185 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1329 - atomdata.cpp:154-158 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1326 - atomdata.cpp:165-165 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1327 - atomdata.cpp:161-165 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1321 - atomdata.cpp:172-177 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►gmx::lincs_matrix_expand(gmx::Lincs const&, (anonymous namespace)::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)+ | libgromacs_mpi.so.9.0.0 | 0.60 | 0.00 | 0.25 | 0.01 | 0.10 | 0.00 | 122 | 0.56 | 0.07 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 14947 - lincs.cpp:278-295 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.60 | 0.00 | 0.32 | 0.00 | 0.10 | 0.00 | 5 | 0.00 | 0.00 | | |
►Loop 14948 - lincs.cpp:284-295 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.60 | 0.28 | 0.31 | 0.15 | 0.10 | 0.05 | 115 | 0.30 | 0.04 | | |
○Loop 14949 - lincs.cpp:290-292 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 14950 - lincs.cpp:290-292 - libgromacs_mpi.so.9.0.0 | | 0.32 | 0.32 | 0.16 | 0.16 | 0.05 | 0.05 | 122 | 0.31 | 0.04 | | |
►Loop 14943 - lincs.cpp:328-348 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 14944 - lincs.cpp:328-348 - libgromacs_mpi.so.9.0.0+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 14946 - lincs.cpp:340-344 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 14945 - lincs.cpp:340-344 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 14941 - lincs.cpp:328-328 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 14942 - lincs.cpp:328-328 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*) | libomp.so | 0.59 | 0.59 | 0.52 | 0.52 | 0.10 | 0.10 | 164 | 0.83 | 0.14 | OMP (%): 100.00 | |
►void nbnxmSimdPruneKernel<(KernelLayout)1>(NbnxnPairlistCpu*, nbnxn_atomdata_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+ | libgromacs_mpi.so.9.0.0 | 0.54 | 0.00 | 0.17 | 0.00 | 0.09 | 0.00 | 128 | 0.19 | 0.02 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 2671 - simd_prune_kernel.cpp:106-213 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.54 | 0.01 | 0.18 | 0.01 | 0.09 | 0.00 | 51 | 0.03 | 0.00 | | |
○Loop 2672 - simd_prune_kernel.cpp:144-204 - libgromacs_mpi.so.9.0.0 [...] | | 0.53 | 0.53 | 0.16 | 0.16 | 0.09 | 0.09 | 128 | 0.19 | 0.02 | | |
►.omp_outlined..37+ | libgromacs_mpi.so.9.0.0 | 0.52 | 0.01 | 0.24 | 0.01 | 0.09 | 0.00 | 125 | 0.50 | 0.06 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 14923 - lincs.cpp:1146-1148 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 21 | 0.01 | 0.00 | | |
○Loop 14918 - lincs.cpp:1245-1245 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 5 | 0.01 | 0.00 | | |
○Loop 14915 - lincs.cpp:1252-1257 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 14920 - lincs.cpp:845-1223 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.15 | 0.00 | 0.11 | 0.00 | 0.02 | 0.00 | 14 | 0.00 | 0.00 | | |
○Loop 14921 - lincs.cpp:966-992 - libgromacs_mpi.so.9.0.0 [...] | | 0.14 | 0.14 | 0.09 | 0.09 | 0.02 | 0.02 | 115 | 0.16 | 0.02 | | |
○Loop 14922 - lincs.cpp:1205-1207 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 34 | 0.03 | 0.00 | | |
○Loop 14914 - lincs.cpp:1265-1273 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 36 | 0.02 | 0.00 | | |
►Loop 14924 - lincs.cpp:1133-1137 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.10 | 0.03 | 0.08 | 0.03 | 0.02 | 0.01 | 84 | 0.04 | 0.01 | | |
○Loop 14925 - lincs.cpp:1135-1137 - libgromacs_mpi.so.9.0.0 [...] | | 0.07 | 0.07 | 0.05 | 0.05 | 0.01 | 0.01 | 103 | 0.08 | 0.01 | | |
○Loop 14919 - lincs.cpp:1245-1245 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 14916 - lincs.cpp:1252-1257 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 14926 - lincs.cpp:845-857 - libgromacs_mpi.so.9.0.0 [...] | | 0.25 | 0.25 | 0.14 | 0.14 | 0.04 | 0.04 | 120 | 0.25 | 0.03 | | |
○Loop 14917 - lincs.cpp:1243-1245 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►.omp_outlined.#0xc138b0+ | libgromacs_mpi.so.9.0.0 | 0.49 | 0.00 | 0.32 | 0.01 | 0.08 | 0.00 | 64 | 0.41 | 0.04 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 1387 - pme_spread.cpp:75-923 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.49 | 0.00 | 0.34 | 0.00 | 0.08 | 0.00 | 8 | 0.01 | 0.00 | | |
○Loop 1388 - pme_spread.cpp:172-174 - libgromacs_mpi.so.9.0.0 | | 0.07 | 0.07 | 0.05 | 0.05 | 0.01 | 0.01 | 64 | 0.10 | 0.01 | | |
○Loop 1394 - pme_spread.cpp:104-133 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1389 - pme_spread.cpp:172-174 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
○Loop 1395 - pme_spread.cpp:104-145 - libgromacs_mpi.so.9.0.0 [...] | | 0.41 | 0.41 | 0.27 | 0.27 | 0.07 | 0.07 | 64 | 0.36 | 0.04 | | |
○Loop 1393 - pme_spread.cpp:154-156 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
○Loop 1391 - pme_spread.cpp:167-167 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1392 - pme_spread.cpp:167-167 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1390 - pme_spread.cpp:165-167 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1396 - pme_spread.cpp:96-98 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
►clearForceBuffer(nbnxn_atomdata_t*, int)+ | libgromacs_mpi.so.9.0.0 | 0.48 | 0.00 | 0.17 | 0.01 | 0.08 | 0.00 | 128 | 0.31 | 0.03 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 1872 - kernel_common.cpp:56-76 - libgromacs_mpi.so.9.0.0 [...] | | 0.48 | 0.48 | 0.17 | 0.17 | 0.08 | 0.08 | 128 | 0.31 | 0.03 | | |
○MPID_Progress_wait | libmpi.so.12.0.0 | 0.47 | 0.47 | 0.45 | 0.45 | 0.08 | 0.08 | 48 | 0.69 | 0.11 | MPI (%): 100.00 | |
►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_mpi.so.9.0.0 | 0.45 | 0.00 | 0.39 | 0.00 | 0.07 | 0.00 | 48 | 0.47 | 0.08 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 14220 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.45 | 0.00 | 0.40 | 0.01 | 0.07 | 0.00 | 20 | 0.02 | 0.00 | | |
○Loop 14221 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.0 [...] | | 0.45 | 0.45 | 0.39 | 0.39 | 0.07 | 0.07 | 48 | 0.46 | 0.08 | | |
►gmx::csettle(gmx::SettleData const&, int, int, t_pbc const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float, gmx::ArrayRefWithPadding<gmx::BasicVector<flo...+ | libgromacs_mpi.so.9.0.0 | 0.40 | 0.00 | 0.15 | 0.01 | 0.07 | 0.00 | 128 | 0.25 | 0.03 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 15263 - settle.cpp:425-425 - libgromacs_mpi.so.9.0.0 [...] | | 0.36 | 0.36 | 0.14 | 0.14 | 0.06 | 0.06 | 128 | 0.22 | 0.03 | | |
○Loop 15261 - settle.cpp:425-425 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15264 - settle.cpp:425-657 - libgromacs_mpi.so.9.0.0 [...] | | 0.04 | 0.04 | 0.03 | 0.03 | 0.01 | 0.01 | 97 | 0.05 | 0.01 | | |
○Loop 15262 - settle.cpp:425-657 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15258 - functions.h:164-164 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15259 - functions.h:164-164 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15260 - functions.h:164-164 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15257 - functions.h:164-164 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○mkl_dft_def_ownscDftInv_Prime8_32fc | libmkl_def.so.2 | 0.38 | 0.38 | 0.22 | 0.22 | 0.06 | 0.06 | 64 | 0.35 | 0.03 | Math (%): 100.00 | |
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*,...+ | libgromacs_mpi.so.9.0.0 | 0.36 | 0.00 | 0.20 | 0.01 | 0.06 | 0.00 | 119 | 0.38 | 0.05 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 16801 - bonded.cpp:2066-2126 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.36 | 0.31 | 0.21 | 0.17 | 0.06 | 0.05 | 119 | 0.33 | 0.04 | | |
○Loop 16802 - bonded.cpp:2072-2087 - libgromacs_mpi.so.9.0.0 | | 0.05 | 0.05 | 0.04 | 0.04 | 0.01 | 0.01 | 92 | 0.07 | 0.01 | | |
►do_pairs(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 const>, gmx::ArrayRef<bool const>, gmx::ArrayRef<un...+ | libgromacs_mpi.so.9.0.0 | 0.35 | 0.00 | 0.16 | 0.00 | 0.06 | 0.00 | 119 | 0.36 | 0.05 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 17094 - pairs.cpp:125-828 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 17097 - pairs.cpp:873-911 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.22 | 0.18 | 0.13 | 0.10 | 0.04 | 0.03 | 110 | 0.19 | 0.02 | | |
○Loop 17098 - pairs.cpp:879-904 - libgromacs_mpi.so.9.0.0 [...] | | 0.04 | 0.04 | 0.03 | 0.03 | 0.01 | 0.01 | 83 | 0.05 | 0.01 | | |
○Loop 17096 - pairs.cpp:873-938 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17095 - vec.h:141-345 - libgromacs_mpi.so.9.0.0 [...] | | 0.13 | 0.13 | 0.08 | 0.08 | 0.02 | 0.02 | 110 | 0.15 | 0.02 | | |
►solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+ | libgromacs_mpi.so.9.0.0 | 0.35 | 0.00 | 0.21 | 0.01 | 0.06 | 0.00 | 64 | 0.28 | 0.03 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 17436 - pme_solve.cpp:233-560 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.35 | 0.03 | 0.36 | 0.03 | 0.06 | 0.00 | 58 | 0.06 | 0.01 | | |
○Loop 17447 - pme_solve.cpp:487-495 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 16 | 0.02 | 0.00 | | |
○Loop 17437 - pme_solve.cpp:556-560 - libgromacs_mpi.so.9.0.0 | | 0.02 | 0.02 | 0.03 | 0.03 | 0.00 | 0.00 | 56 | 0.05 | 0.01 | | |
○Loop 17455 - pme_solve.cpp:440-453 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17439 - pme_solve.cpp:556-560 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17456 - pme_solve.cpp:442-453 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 10 | 0.00 | 0.00 | | |
○Loop 17443 - pme_solve.cpp:521-530 - libgromacs_mpi.so.9.0.0 | | 0.06 | 0.06 | 0.04 | 0.04 | 0.01 | 0.01 | 64 | 0.07 | 0.01 | | |
○Loop 17440 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.0 [...] | | 0.08 | 0.08 | 0.05 | 0.05 | 0.01 | 0.01 | 64 | 0.09 | 0.01 | | |
○Loop 17441 - pme_solve.cpp:533-542 - libgromacs_mpi.so.9.0.0 | | 0.06 | 0.06 | 0.06 | 0.06 | 0.01 | 0.01 | 62 | 0.10 | 0.01 | | |
○Loop 17445 - pme_solve.cpp:485-495 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17452 - pme_solve.cpp:474-474 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17453 - pme_solve.cpp:456-469 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
○Loop 17438 - pme_solve.cpp:554-560 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17449 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 27 | 0.02 | 0.00 | | |
○Loop 17444 - pme_solve.cpp:523-530 - libgromacs_mpi.so.9.0.0 | | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 45 | 0.04 | 0.00 | | |
○Loop 17454 - pme_solve.cpp:458-469 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 12 | 0.00 | 0.00 | | |
○Loop 17450 - pme_solve.cpp:474-474 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 0.02 | 0.00 | | |
○Loop 17448 - pme_solve.cpp:487-495 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17446 - pme_solve.cpp:498-510 - libgromacs_mpi.so.9.0.0 | | 0.06 | 0.06 | 0.07 | 0.07 | 0.01 | 0.01 | 64 | 0.11 | 0.01 | | |
○Loop 17451 - pme_solve.cpp:472-474 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17442 - pme_solve.cpp:535-542 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 31 | 0.03 | 0.00 | | |
►void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)1, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...+ | libgromacs_mpi.so.9.0.0 | 0.33 | 0.00 | 0.09 | 0.00 | 0.05 | 0.00 | 128 | 0.13 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 715 - simd_kernel.h:273-555 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.33 | 0.00 | 0.19 | 0.01 | 0.05 | 0.00 | 21 | 0.01 | 0.00 | | |
○Loop 719 - impl_x86_avx_512_simd_float.h:70-461 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 23 | 0.02 | 0.00 | | |
○Loop 718 - simd_kernel.h:497-497 - libgromacs_mpi.so.9.0.0 [...] | | 0.09 | 0.09 | 0.05 | 0.05 | 0.01 | 0.01 | 108 | 0.09 | 0.01 | | |
○Loop 721 - impl_x86_avx_512_simd_float.h:70-461 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 26 | 0.01 | 0.00 | | |
○Loop 717 - simd_kernel.h:510-513 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0.01 | 0.00 | | |
○Loop 720 - simd_kernel.h:476-476 - libgromacs_mpi.so.9.0.0 [...] | | 0.22 | 0.22 | 0.08 | 0.08 | 0.04 | 0.04 | 128 | 0.15 | 0.02 | | |
○Loop 716 - simd_kernel.h:518-518 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 23 | 0.03 | 0.00 | | |
○I_MPI_memcpy_multipage_sse | libmpi.so.12.0.0 | 0.31 | 0.31 | 0.69 | 0.69 | 0.05 | 0.05 | 32 | 1.24 | 0.20 | MPI (%): 100.00 | |
►gmx::lincs_update_atoms_ind(gmx::ArrayRef<int const>, gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, flo...+ | libgromacs_mpi.so.9.0.0 | 0.31 | 0.00 | 0.15 | 0.01 | 0.05 | 0.00 | 118 | 0.32 | 0.04 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 14953 - lincs.cpp:445-458 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 14954 - lincs.cpp:425-440 - libgromacs_mpi.so.9.0.0 [...] | | 0.31 | 0.31 | 0.15 | 0.15 | 0.05 | 0.05 | 118 | 0.32 | 0.04 | | |
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*...+ | libgromacs_mpi.so.9.0.0 | 0.29 | 0.00 | 0.15 | 0.01 | 0.05 | 0.00 | 118 | 0.29 | 0.04 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 16790 - bonded.cpp:1151-1185 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.29 | 0.27 | 0.15 | 0.13 | 0.05 | 0.04 | 117 | 0.28 | 0.03 | | |
○Loop 16791 - bonded.cpp:1157-1178 - libgromacs_mpi.so.9.0.0 [...] | | 0.03 | 0.03 | 0.02 | 0.02 | 0.00 | 0.00 | 74 | 0.03 | 0.00 | | |
○mkl_dft_def_ownscDftFwd_Prime8_32fc | libmkl_def.so.2 | 0.29 | 0.29 | 0.16 | 0.16 | 0.05 | 0.05 | 64 | 0.24 | 0.02 | Math (%): 100.00 | |
○exp | libm.so.6 | 0.27 | 0.27 | 0.20 | 0.20 | 0.04 | 0.04 | 48 | 0.23 | 0.04 | Math (%): 100.00 | |
○impi_shm_heap_progress | libmpi.so.12.0.0 | 0.27 | 0.23 | 0.31 | 0.10 | 0.04 | 0.04 | 48 | 0.40 | 0.06 | MPI (%): 100.00 | |
○mkl_dft_def_owns_cRadix4FwdNorm_32fc | libmkl_def.so.2 | 0.26 | 0.26 | 0.16 | 0.16 | 0.04 | 0.04 | 64 | 0.24 | 0.02 | Math (%): 100.00 | |
○mkl_dft_def_ownscDftInv_Fact4_32fc | libmkl_def.so.2 | 0.26 | 0.26 | 0.16 | 0.16 | 0.04 | 0.04 | 64 | 0.31 | 0.03 | Math (%): 100.00 | |
○__GI___sched_yield | libc.so.6 | 0.23 | 0.23 | 0.10 | 0.10 | 0.04 | 0.04 | 158 | 0.22 | 0.02 | System (%): 100.00 | |
○mkl_dft_def_owns_cRadix4InvNorm_32fc | libmkl_def.so.2 | 0.21 | 0.21 | 0.15 | 0.15 | 0.03 | 0.03 | 64 | 0.22 | 0.02 | Math (%): 100.00 | |
►.omp_outlined..4#0xc16230+ | libgromacs_mpi.so.9.0.0 | 0.20 | 0.00 | 0.13 | 0.00 | 0.03 | 0.00 | 64 | 0.20 | 0.02 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 14977 - pme_spread.cpp:477-1021 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.20 | 0.00 | 0.26 | 0.00 | 0.03 | 0.00 | 4 | 0.01 | 0.00 | | |
►Loop 14978 - pme_spread.cpp:538-702 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.20 | 0.00 | 0.26 | 0.01 | 0.03 | 0.00 | 2 | 0.03 | 0.00 | | |
►Loop 14979 - pme_spread.cpp:554-702 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.20 | 0.00 | 0.25 | 0.00 | 0.03 | 0.00 | 1 | 0.00 | 0.00 | | |
►Loop 14980 - pme_spread.cpp:572-702 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.20 | 0.00 | 0.24 | 0.01 | 0.03 | 0.00 | 18 | 0.02 | 0.00 | | |
►Loop 14981 - pme_spread.cpp:633-641 - libgromacs_mpi.so.9.0.0+ | | 0.06 | 0.00 | 0.09 | 0.01 | 0.01 | 0.00 | 18 | 0.02 | 0.00 | | |
►Loop 14982 - pme_spread.cpp:635-641 - libgromacs_mpi.so.9.0.0+ | | 0.06 | 0.01 | 0.07 | 0.01 | 0.01 | 0.00 | 31 | 0.03 | 0.00 | | |
○Loop 14986 - pme_spread.cpp:641-641 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0.01 | 0.00 | | |
○Loop 14984 - pme_spread.cpp:639-641 - libgromacs_mpi.so.9.0.0 | | 0.03 | 0.03 | 0.04 | 0.04 | 0.01 | 0.01 | 57 | 0.08 | 0.01 | | |
○Loop 14985 - pme_spread.cpp:641-641 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 42 | 0.03 | 0.00 | | |
○Loop 14983 - pme_spread.cpp:639-641 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 14993 - pme_spread.cpp:683-702 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.03 | 0.00 | 0.05 | 0.01 | 0.01 | 0.00 | 10 | 0.01 | 0.00 | | |
►Loop 14994 - pme_spread.cpp:685-702 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.03 | 0.00 | 0.04 | 0.02 | 0.00 | 0.00 | 12 | 0.02 | 0.00 | | |
○Loop 14998 - pme_spread.cpp:702-702 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 14995 - pme_spread.cpp:700-702 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 14997 - pme_spread.cpp:702-702 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 23 | 0.02 | 0.00 | | |
○Loop 14996 - pme_spread.cpp:700-702 - libgromacs_mpi.so.9.0.0 | | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 53 | 0.04 | 0.00 | | |
►Loop 14987 - pme_spread.cpp:683-695 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.11 | 0.00 | 0.09 | 0.00 | 0.02 | 0.00 | 8 | 0.01 | 0.00 | | |
►Loop 14988 - pme_spread.cpp:685-695 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.10 | 0.00 | 0.08 | 0.01 | 0.02 | 0.00 | 22 | 0.01 | 0.00 | | |
○Loop 14990 - pme_spread.cpp:693-695 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 14992 - pme_spread.cpp:695-695 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 11 | 0.01 | 0.00 | | |
○Loop 14991 - pme_spread.cpp:695-695 - libgromacs_mpi.so.9.0.0 | | 0.10 | 0.10 | 0.06 | 0.06 | 0.02 | 0.02 | 64 | 0.10 | 0.01 | | |
○Loop 14989 - pme_spread.cpp:693-695 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►.omp_outlined..30+ | libgromacs_mpi.so.9.0.0 | 0.19 | 0.00 | 0.06 | 0.01 | 0.03 | 0.00 | 128 | 0.11 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 1604 - atomdata.cpp:1017-1187 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.19 | 0.00 | 0.12 | 0.00 | 0.03 | 0.00 | 5 | 0.01 | 0.00 | | |
►Loop 1605 - atomdata.cpp:1017-1187 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.19 | 0.02 | 0.11 | 0.01 | 0.03 | 0.00 | 58 | 0.03 | 0.00 | | |
○Loop 1612 - atomdata.cpp:1171-1175 - libgromacs_mpi.so.9.0.0 [...] | | 0.03 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 96 | 0.04 | 0.00 | | |
►Loop 1609 - atomdata.cpp:1083-1088 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 5 | 0.00 | 0.00 | | |
○Loop 1611 - atomdata.cpp:1086-1088 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1610 - atomdata.cpp:1086-1088 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 0.00 | 0.00 | | |
►Loop 1606 - atomdata.cpp:1070-1075 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.13 | 0.03 | 0.07 | 0.03 | 0.02 | 0.00 | 88 | 0.04 | 0.00 | | |
○Loop 1607 - atomdata.cpp:1073-1075 - libgromacs_mpi.so.9.0.0 [...] | | 0.11 | 0.11 | 0.04 | 0.04 | 0.02 | 0.02 | 124 | 0.08 | 0.01 | | |
○Loop 1608 - atomdata.cpp:1073-1075 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○MPIDI_SHMI_progress | libmpi.so.12.0.0 | 0.18 | 0.18 | 0.18 | 0.18 | 0.03 | 0.03 | 48 | 0.28 | 0.05 | MPI (%): 100.00 | |
►.omp_outlined..28+ | libgromacs_mpi.so.9.0.0 | 0.18 | 0.00 | 0.07 | 0.01 | 0.03 | 0.00 | 127 | 0.13 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 1600 - atomdata.cpp:1113-1257 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.17 | 0.00 | 0.07 | 0.00 | 0.03 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1603 - atomdata.cpp:1137-1143 - libgromacs_mpi.so.9.0.0 [...] | | 0.17 | 0.17 | 0.07 | 0.07 | 0.03 | 0.03 | 127 | 0.12 | 0.01 | | |
○Loop 1602 - atomdata.cpp:1127-1133 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1601 - atomdata.cpp:1117-1123 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○mkl_dft_def_owns_cRealRecombine_32f | libmkl_def.so.2 | 0.16 | 0.16 | 0.10 | 0.10 | 0.03 | 0.03 | 64 | 0.14 | 0.02 | Math (%): 100.00 | |
○mkl_dft_def_ownscDftFwd_Fact3_32fc | libmkl_def.so.2 | 0.16 | 0.16 | 0.10 | 0.10 | 0.03 | 0.03 | 64 | 0.17 | 0.02 | Math (%): 100.00 | |
►.omp_outlined.#0xb2b860+ | libgromacs_mpi.so.9.0.0 | 0.16 | 0.00 | 0.07 | 0.01 | 0.03 | 0.00 | 126 | 0.12 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 1426 - sim_util.cpp:475-475 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
○Loop 1425 - sim_util.cpp:475-475 - libgromacs_mpi.so.9.0.0 [...] | | 0.15 | 0.15 | 0.07 | 0.07 | 0.02 | 0.02 | 126 | 0.12 | 0.01 | | |
►dd_move_f(gmx_domdec_t*, gmx::ForceWithShiftForces*, gmx_wallcycle*)+ | libgromacs_mpi.so.9.0.0 | 0.15 | 0.00 | 0.16 | 0.00 | 0.03 | 0.00 | 32 | 0.15 | 0.02 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 2991 - domdec.cpp:367-453 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.15 | 0.00 | 0.21 | 0.01 | 0.02 | 0.00 | 3 | 0.02 | 0.00 | | |
►Loop 2992 - domdec.cpp:381-453 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.15 | 0.00 | 0.20 | 0.01 | 0.02 | 0.00 | 9 | 0.01 | 0.00 | | |
►Loop 2998 - domdec.cpp:401-405 - libgromacs_mpi.so.9.0.0+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3000 - domdec.cpp:403-405 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2999 - domdec.cpp:403-405 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2995 - stl_iterator.h:1054-1182 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2996 - domdec.cpp:442-453 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2997 - domdec.cpp:403-405 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2994 - domdec.cpp:426-435 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.00 | 9 | 0.07 | 0.01 | | |
○Loop 3001 - stl_uninitialized.h:1031-1031 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2993 - domdec.cpp:415-419 - libgromacs_mpi.so.9.0.0 [...] | | 0.14 | 0.14 | 0.16 | 0.16 | 0.02 | 0.02 | 32 | 0.12 | 0.02 | | |
○Loop 3002 - stl_uninitialized.h:1031-1031 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►do_redist_pos_coeffs(gmx_pme_t*, t_commrec const*, bool, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>)+ | libgromacs_mpi.so.9.0.0 | 0.15 | 0.00 | 0.30 | 0.00 | 0.02 | 0.00 | 16 | 0.25 | 0.04 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 17422 - pme_redistribute.cpp:126-501 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.15 | 0.00 | 0.32 | 0.00 | 0.02 | 0.00 | 2 | 0.00 | 0.00 | | |
○Loop 17427 - pme_redistribute.cpp:294-298 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17423 - pme_redistribute.cpp:265-398 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 0.02 | 0.00 | | |
○Loop 17424 - pme_redistribute.cpp:345-367 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17426 - pme_redistribute.cpp:252-338 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0.00 | 0.00 | | |
○Loop 17428 - pme_redistribute.cpp:294-298 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17425 - pme_redistribute.cpp:345-367 - libgromacs_mpi.so.9.0.0 [...] | | 0.15 | 0.15 | 0.29 | 0.29 | 0.02 | 0.02 | 16 | 0.25 | 0.04 | | |
►Loop 17429 - pme_redistribute.cpp:145-149 - libgromacs_mpi.so.9.0.0+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17430 - pme_redistribute.cpp:147-149 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
○mkl_dft_def_ownscDftInv_Fact3_32fc | libmkl_def.so.2 | 0.14 | 0.14 | 0.09 | 0.09 | 0.02 | 0.02 | 64 | 0.13 | 0.01 | Math (%): 100.00 | |
►copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+ | libgromacs_mpi.so.9.0.0 | 0.14 | 0.00 | 0.09 | 0.00 | 0.02 | 0.00 | 64 | 0.15 | 0.02 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 17305 - pme_grid.cpp:395-404 - libgromacs_mpi.so.9.0.0+ | | 0.14 | 0.00 | 0.10 | 0.01 | 0.02 | 0.00 | 14 | 0.01 | 0.00 | | |
○Loop 17308 - pme_grid.cpp:402-404 - libgromacs_mpi.so.9.0.0 | | 0.14 | 0.14 | 0.09 | 0.09 | 0.02 | 0.02 | 64 | 0.15 | 0.02 | | |
○Loop 17306 - pme_grid.cpp:402-404 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17307 - pme_grid.cpp:402-404 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17309 - pme_grid.cpp:402-404 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
○_ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@608 | libgromacs_mpi.so.9.0.0 | 0.14 | 0.14 | 0.09 | 0.09 | 0.02 | 0.02 | 112 | 0.15 | 0.02 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►.omp_outlined.#0xc0af60+ | libgromacs_mpi.so.9.0.0 | 0.14 | 0.00 | 0.10 | 0.01 | 0.02 | 0.00 | 64 | 0.17 | 0.02 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 1401 - pme_redistribute.cpp:81-138 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.14 | 0.00 | 0.10 | 0.00 | 0.02 | 0.00 | 7 | 0.00 | 0.00 | | |
○Loop 1403 - pme_redistribute.cpp:111-118 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1402 - pme_redistribute.cpp:96-103 - libgromacs_mpi.so.9.0.0 | | 0.13 | 0.13 | 0.09 | 0.09 | 0.02 | 0.02 | 64 | 0.16 | 0.02 | | |
►.omp_outlined..65+ | libgromacs_mpi.so.9.0.0 | 0.14 | 0.00 | 0.06 | 0.01 | 0.02 | 0.00 | 128 | 0.11 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 15389 - update.cpp:1703-1706 - libgromacs_mpi.so.9.0.0 [...] | | 0.13 | 0.13 | 0.06 | 0.06 | 0.02 | 0.02 | 128 | 0.11 | 0.01 | | |
►.omp_outlined..17+ | libgromacs_mpi.so.9.0.0 | 0.13 | 0.00 | 0.08 | 0.01 | 0.02 | 0.00 | 118 | 0.13 | 0.02 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 4163 - threaded_force_buffer.cpp:171-211 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.12 | 0.01 | 0.16 | 0.01 | 0.02 | 0.00 | 34 | 0.02 | 0.00 | | |
○Loop 4169 - vec.h:141-147 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 43 | 0.02 | 0.00 | | |
►Loop 4164 - threaded_force_buffer.cpp:207-211 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.09 | 0.02 | 0.10 | 0.03 | 0.01 | 0.00 | 59 | 0.03 | 0.00 | | |
○Loop 4166 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 14 | 0.05 | 0.01 | | |
○Loop 4165 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.9.0.0 [...] | | 0.07 | 0.07 | 0.05 | 0.05 | 0.01 | 0.01 | 103 | 0.08 | 0.01 | | |
○Loop 4168 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 4170 - vec.h:141-147 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 7 | 0.00 | 0.00 | | |
○Loop 4167 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 7 | 0.00 | 0.00 | | |
○Loop 4171 - threaded_force_buffer.cpp:182-186 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 45 | 0.02 | 0.00 | | |
○mkl_dft_def_ownscDftFwd_Fact4_32fc | libmkl_def.so.2 | 0.13 | 0.13 | 0.09 | 0.09 | 0.02 | 0.02 | 64 | 0.14 | 0.02 | Math (%): 100.00 | |
►.omp_outlined.+ | libgromacs_mpi.so.9.0.0 | 0.12 | 0.00 | 0.06 | 0.01 | 0.02 | 0.00 | 123 | 0.09 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 1597 - atomdata.cpp:961-982 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.12 | 0.00 | 0.07 | 0.00 | 0.02 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1598 - atomdata.cpp:965-982 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.12 | 0.00 | 0.07 | 0.01 | 0.02 | 0.00 | 12 | 0.01 | 0.00 | | |
○Loop 1599 - atomdata.cpp:973-982 - libgromacs_mpi.so.9.0.0 [...] | | 0.11 | 0.11 | 0.06 | 0.06 | 0.02 | 0.02 | 123 | 0.09 | 0.01 | | |
○__memset_avx512_unaligned_erms | libc.so.6 | 0.11 | 0.11 | 0.06 | 0.06 | 0.02 | 0.02 | 119 | 0.14 | 0.02 | Memory (%): 100.00 | |
►dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef<gmx::BasicVector<float> >, bool)+ | libgromacs_mpi.so.9.0.0 | 0.11 | 0.00 | 0.21 | 0.01 | 0.02 | 0.00 | 16 | 0.18 | 0.03 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 17421 - pme_redistribute.cpp:265-430 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 5 | 0.00 | 0.00 | | |
○Loop 17420 - pme_redistribute.cpp:436-449 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17419 - pme_redistribute.cpp:455-468 - libgromacs_mpi.so.9.0.0 [...] | | 0.11 | 0.11 | 0.20 | 0.20 | 0.02 | 0.02 | 16 | 0.17 | 0.03 | | |
○mkl_dft_def_owns_cCcsRecombine_32f | libmkl_def.so.2 | 0.09 | 0.09 | 0.08 | 0.08 | 0.01 | 0.01 | 64 | 0.13 | 0.01 | Math (%): 100.00 | |
○MPID_Progress_completion_count_get | libmpi.so.12.0.0 | 0.09 | 0.09 | 0.10 | 0.10 | 0.01 | 0.01 | 48 | 0.16 | 0.03 | MPI (%): 100.00 | |
○unsigned int __kmp_wait<unsigned int>(unsigned int volatile*, unsigned int, unsigned int (*)(unsigned int, unsigned int), void*) | libomp.so | 0.09 | 0.09 | 0.06 | 0.06 | 0.01 | 0.01 | 48 | 0.07 | 0.01 | OMP (%): 100.00 | |
►int assignInteractionsForAtom<false>(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> const>, In...+ | libgromacs_mpi.so.9.0.0 | 0.08 | 0.01 | 0.06 | 0.02 | 0.01 | 0.00 | 101 | 0.12 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 3351 - localtopology.cpp:323-577 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.08 | 0.03 | 0.10 | 0.03 | 0.01 | 0.01 | 67 | 0.06 | 0.01 | | |
►Loop 3353 - localtopology.cpp:506-531 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.04 | 0.03 | 0.06 | 0.03 | 0.01 | 0.01 | 73 | 0.06 | 0.01 | | |
○Loop 3354 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 31 | 0.04 | 0.00 | | |
○Loop 3355 - localtopology.cpp:506-531 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3352 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 13 | 0.01 | 0.00 | | |
○unknown_function | libgromacs_mpi.so.9.0.0 | 0.08 | 0.00 | 0.05 | 0.00 | 0.01 | 0.00 | 130 | 0.07 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | |
○atanf | libm.so.6 | 0.08 | 0.08 | 0.05 | 0.05 | 0.01 | 0.01 | 101 | 0.10 | 0.01 | Math (%): 100.00 | |
►dd_move_x(gmx_domdec_t*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> >, gmx_wallcycle*)+ | libgromacs_mpi.so.9.0.0 | 0.07 | 0.00 | 0.11 | 0.01 | 0.01 | 0.00 | 32 | 0.12 | 0.02 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 2980 - domdec.cpp:273-351 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.07 | 0.00 | 0.19 | 0.00 | 0.01 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 2981 - domdec.cpp:275-345 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.07 | 0.00 | 0.19 | 0.00 | 0.01 | 0.00 | 8 | 0.00 | 0.00 | | |
○Loop 2986 - stl_uninitialized.h:1031-1031 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2987 - domdec.cpp:297-302 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.10 | 0.10 | 0.00 | 0.00 | 11 | 0.17 | 0.03 | | |
○Loop 2990 - stl_uninitialized.h:1031-1031 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2982 - domdec.cpp:343-345 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 2983 - domdec.cpp:341-345 - libgromacs_mpi.so.9.0.0+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2984 - domdec.cpp:343-345 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2985 - domdec.cpp:343-345 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2988 - domdec.cpp:309-318 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2989 - domdec.cpp:289-291 - libgromacs_mpi.so.9.0.0 [...] | | 0.06 | 0.06 | 0.08 | 0.08 | 0.01 | 0.01 | 31 | 0.11 | 0.02 | | |
►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int)+ | libgromacs_mpi.so.9.0.0 | 0.07 | 0.00 | 0.16 | 0.01 | 0.01 | 0.00 | 16 | 0.13 | 0.02 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 17527 - pme_spread.cpp:755-818 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 17535 - pme_spread.cpp:793-801 - libgromacs_mpi.so.9.0.0+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 17536 - pme_spread.cpp:795-801 - libgromacs_mpi.so.9.0.0+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17537 - pme_spread.cpp:799-801 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17539 - pme_spread.cpp:799-801 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17538 - pme_spread.cpp:799-801 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17534 - pme_spread.cpp:799-801 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 17529 - pme_spread.cpp:810-818 - libgromacs_mpi.so.9.0.0+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 17530 - pme_spread.cpp:812-818 - libgromacs_mpi.so.9.0.0+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17533 - pme_spread.cpp:816-818 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17531 - pme_spread.cpp:816-818 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17532 - pme_spread.cpp:816-818 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17528 - pme_spread.cpp:816-818 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 17522 - pme_spread.cpp:870-878 - libgromacs_mpi.so.9.0.0+ | | 0.07 | 0.00 | 0.16 | 0.00 | 0.01 | 0.00 | 1 | 0.00 | 0.00 | | |
►Loop 17523 - pme_spread.cpp:872-878 - libgromacs_mpi.so.9.0.0+ | | 0.07 | 0.00 | 0.16 | 0.01 | 0.01 | 0.00 | 8 | 0.02 | 0.00 | | |
○Loop 17526 - pme_spread.cpp:876-878 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0.00 | 0.00 | | |
○Loop 17521 - pme_spread.cpp:876-878 - libgromacs_mpi.so.9.0.0 | | 0.07 | 0.07 | 0.14 | 0.14 | 0.01 | 0.01 | 16 | 0.13 | 0.02 | | |
○Loop 17525 - pme_spread.cpp:876-878 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 17524 - pme_spread.cpp:876-878 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], gmx::BasicVector<float>*, gmx::BasicVector<float>*, bool)+ | libgromacs_mpi.so.9.0.0 | 0.07 | 0.00 | 0.12 | 0.01 | 0.01 | 0.00 | 32 | 0.19 | 0.03 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 3206 - domdec_specatomcomm.cpp:189-358 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.07 | 0.00 | 0.24 | 0.01 | 0.01 | 0.00 | 10 | 0.00 | 0.00 | | |
○Loop 3220 - domdec_specatomcomm.cpp:285-287 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3224 - domdec_specatomcomm.cpp:285-287 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 17 | 0.02 | 0.00 | | |
○Loop 3221 - domdec_specatomcomm.cpp:285-287 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3228 - domdec_specatomcomm.cpp:285-287 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 15 | 0.02 | 0.00 | | |
○Loop 3230 - domdec_specatomcomm.cpp:285-288 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 0.00 | | |
►Loop 3231 - domdec_specatomcomm.cpp:202-252 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.05 | 0.00 | 0.17 | 0.01 | 0.01 | 0.00 | 4 | 0.02 | 0.00 | | |
►Loop 3240 - domdec_specatomcomm.cpp:222-252 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3241 - stl_iterator.h:1054-1054 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 10 | 0.02 | 0.00 | | |
○Loop 3242 - domdec_specatomcomm.cpp:247-252 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3236 - stl_iterator.h:1028-1182 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3238 - domdec_specatomcomm.cpp:247-252 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3239 - stl_iterator.h:1054-1182 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3237 - stl_iterator.h:1054-1054 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0.00 | 0.00 | | |
○Loop 3232 - stl_iterator.h:1054-1182 - libgromacs_mpi.so.9.0.0 [...] | | 0.02 | 0.02 | 0.06 | 0.06 | 0.00 | 0.00 | 24 | 0.07 | 0.01 | | |
►Loop 3233 - domdec_specatomcomm.cpp:222-232 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.03 | 0.00 | 0.09 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
○Loop 3235 - domdec_specatomcomm.cpp:229-232 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.05 | 0.05 | 0.00 | 0.00 | 22 | 0.07 | 0.01 | | |
○Loop 3234 - domdec_specatomcomm.cpp:229-232 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.00 | 28 | 0.05 | 0.01 | | |
○Loop 3225 - domdec_specatomcomm.cpp:285-287 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 13 | 0.02 | 0.00 | | |
○Loop 3210 - domdec_specatomcomm.cpp:351-353 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3211 - domdec_specatomcomm.cpp:301-323 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3213 - domdec_specatomcomm.cpp:310-315 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3212 - stl_iterator.h:1054-1182 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3227 - domdec_specatomcomm.cpp:285-287 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3207 - domdec_specatomcomm.cpp:351-354 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3219 - domdec_specatomcomm.cpp:285-287 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3215 - stl_iterator.h:1028-1182 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3216 - stl_iterator.h:1054-1182 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3217 - stl_iterator.h:1054-1182 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3229 - domdec_specatomcomm.cpp:285-288 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
○Loop 3209 - domdec_specatomcomm.cpp:351-353 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3226 - domdec_specatomcomm.cpp:285-288 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3222 - domdec_specatomcomm.cpp:285-288 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3208 - domdec_specatomcomm.cpp:351-354 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3223 - domdec_specatomcomm.cpp:285-288 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3218 - domdec_specatomcomm.cpp:285-287 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 17 | 0.02 | 0.00 | | |
○Loop 3214 - domdec_specatomcomm.cpp:320-323 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*) | libgromacs_mpi.so.9.0.0 | 0.07 | 0.07 | 0.04 | 0.04 | 0.01 | 0.01 | 106 | 0.08 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►.omp_outlined.#0xc099f0+ | libgromacs_mpi.so.9.0.0 | 0.06 | 0.00 | 0.04 | 0.00 | 0.01 | 0.00 | 115 | 0.07 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 1404 - pme_pp.cpp:612-612 - libgromacs_mpi.so.9.0.0 [...] | | 0.06 | 0.06 | 0.04 | 0.04 | 0.01 | 0.01 | 115 | 0.07 | 0.01 | | |
○void do_dih_fup<(BondedKernelFlavor)2>(int, int, int, int, float, float*, float*, float*, float*, float*, float (*) [4], float (*) [3], t_pbc const*, float const (*) [3], int, int, int) | libgromacs_mpi.so.9.0.0 | 0.06 | 0.06 | 0.03 | 0.03 | 0.01 | 0.01 | 93 | 0.07 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*)+ | libgromacs_mpi.so.9.0.0 | 0.05 | 0.05 | 0.04 | 0.04 | 0.01 | 0.01 | 91 | 0.07 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 4527 - pbc.cpp:911-915 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 4528 - pbc.cpp:947-1012 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo...+ | libgromacs_mpi.so.9.0.0 | 0.05 | 0.00 | 0.04 | 0.00 | 0.01 | 0.00 | 93 | 0.07 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 16899 - functions.h:164-321 - libgromacs_mpi.so.9.0.0 [...] | | 0.05 | 0.05 | 0.04 | 0.04 | 0.01 | 0.01 | 93 | 0.07 | 0.01 | | |
►void make_exclusions_zone<false>(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> > const&, gmx...+ | libgromacs_mpi.so.9.0.0 | 0.05 | 0.00 | 0.03 | 0.00 | 0.01 | 0.00 | 114 | 0.05 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 3325 - localtopology.cpp:738-788 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.05 | 0.01 | 0.04 | 0.01 | 0.01 | 0.00 | 40 | 0.01 | 0.00 | | |
►Loop 3326 - localtopology.cpp:778-778 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3327 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3329 - range.h:123-123 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.04 | 0.02 | 0.03 | 0.01 | 0.01 | 0.00 | 62 | 0.03 | 0.00 | | |
○Loop 3330 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 75 | 0.03 | 0.00 | | |
○Loop 3328 - stl_algobase.h:2067-2081 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*) | libgromacs_mpi.so.9.0.0 | 0.05 | 0.05 | 0.05 | 0.05 | 0.01 | 0.01 | 84 | 0.08 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►.omp_outlined..70+ | libgromacs_mpi.so.9.0.0 | 0.05 | 0.00 | 0.03 | 0.01 | 0.01 | 0.00 | 104 | 0.05 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 15394 - exception_ptr.h:200-201 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15419 - update.cpp:379-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15399 - update.cpp:615-686 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15397 - charconv.h:58-62 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15410 - update.cpp:394-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15402 - update.cpp:615-686 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15431 - update.cpp:972-988 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15417 - update.cpp:394-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15413 - update.cpp:383-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15407 - update.cpp:394-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15406 - update.cpp:394-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15408 - update.cpp:379-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15424 - update.cpp:383-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15396 - charconv.h:84-89 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15393 - exception_ptr.h:200-201 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15415 - update.cpp:498-501 - libgromacs_mpi.so.9.0.0 [...] | | 0.04 | 0.04 | 0.03 | 0.03 | 0.01 | 0.01 | 92 | 0.05 | 0.01 | | |
○Loop 15423 - update.cpp:383-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15409 - update.cpp:394-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15411 - update.cpp:379-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 15426 - update.cpp:1354-1395 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15427 - update.cpp:1354-1395 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15400 - update.cpp:615-686 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15395 - exception_ptr.h:200-201 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15404 - update.cpp:615-686 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15418 - update.cpp:394-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15430 - cmath:464-464 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15403 - update.cpp:619-686 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15433 - update.cpp:916-937 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15398 - update.cpp:615-686 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15434 - update.cpp:916-937 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15420 - update.cpp:394-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15391 - exception_ptr.h:200-201 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15432 - update.cpp:972-988 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15414 - update.cpp:379-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15392 - exception_ptr.h:200-201 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15412 - update.cpp:383-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 28 | 0.01 | 0.00 | | |
○Loop 15422 - update.cpp:379-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15401 - update.cpp:658-686 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 15428 - update.cpp:1172-1233 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15429 - update.cpp:1191-1233 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15421 - update.cpp:394-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15416 - update.cpp:498-501 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15390 - exception_ptr.h:200-201 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15425 - update.cpp:379-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15405 - update.cpp:615-686 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○__acosf_finite | libm.so.6 | 0.05 | 0.05 | 0.03 | 0.03 | 0.01 | 0.01 | 94 | 0.06 | 0.01 | Math (%): 100.00 | |
○MPIDIG_send_origin_cb | libmpi.so.12.0.0 | 0.04 | 0.04 | 0.06 | 0.06 | 0.01 | 0.01 | 45 | 0.08 | 0.01 | MPI (%): 100.00 | |
►.omp_outlined..4+ | libgromacs_mpi.so.9.0.0 | 0.04 | 0.00 | 0.03 | 0.00 | 0.01 | 0.00 | 101 | 0.05 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 14999 - md_support.cpp:148-219 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.04 | 0.00 | 0.03 | 0.00 | 0.01 | 0.00 | 1 | 0.00 | 0.00 | | |
○Loop 15002 - md_support.cpp:181-209 - libgromacs_mpi.so.9.0.0 [...] | | 0.04 | 0.04 | 0.03 | 0.03 | 0.01 | 0.01 | 101 | 0.05 | 0.01 | | |
○Loop 15000 - md_support.cpp:181-209 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15003 - md_support.cpp:181-219 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 15001 - md_support.cpp:181-219 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►.omp_outlined.#0xb09d40+ | libgromacs_mpi.so.9.0.0 | 0.04 | 0.00 | 0.02 | 0.00 | 0.01 | 0.00 | 102 | 0.03 | 0.00 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 1428 - mdatoms.cpp:268-438 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.04 | 0.04 | 0.03 | 0.02 | 0.01 | 0.01 | 101 | 0.03 | 0.00 | | |
○Loop 1427 - mtop_lookup.h:93-106 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0.02 | 0.00 | | |
○I_MPI_memcpy_sse | libmpi.so.12.0.0 | 0.04 | 0.04 | 0.05 | 0.05 | 0.01 | 0.01 | 43 | 0.08 | 0.01 | MPI (%): 100.00 | |
○mkl_dft_def_ownscDftInv_PrimeFact_32fc | libmkl_def.so.2 | 0.03 | 0.03 | 0.03 | 0.03 | 0.01 | 0.01 | 61 | 0.06 | 0.01 | Math (%): 100.00 | |
○mkl_dft_def_ownscDftFwd_PrimeFact_32fc | libmkl_def.so.2 | 0.03 | 0.03 | 0.03 | 0.03 | 0.01 | 0.01 | 57 | 0.07 | 0.01 | Math (%): 100.00 | |
►Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)+ | libgromacs_mpi.so.9.0.0 | 0.03 | 0.00 | 0.03 | 0.01 | 0.01 | 0.00 | 90 | 0.05 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 1796 - grid.cpp:416-421 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1800 - grid.cpp:330-408 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 39 | 0.03 | 0.00 | | |
○Loop 1802 - grid.cpp:398-401 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1801 - grid.cpp:386-388 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 4 | 0.01 | 0.00 | | |
○Loop 1797 - grid.cpp:416-421 - libgromacs_mpi.so.9.0.0 | | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 65 | 0.03 | 0.00 | | |
○Loop 1799 - grid.cpp:427-432 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1798 - grid.cpp:427-432 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*...+ | libgromacs_mpi.so.9.0.0 | 0.03 | 0.00 | 0.06 | 0.01 | 0.01 | 0.00 | 44 | 0.11 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 16803 - bonded.cpp:2179-2256 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.03 | 0.03 | 0.06 | 0.04 | 0.01 | 0.00 | 41 | 0.08 | 0.01 | | |
○Loop 16804 - bonded.cpp:2185-2213 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 18 | 0.04 | 0.01 | | |
○.plt.sec@start | libm.so.6 | 0.03 | 0.03 | 0.04 | 0.04 | 0.01 | 0.01 | 47 | 0.06 | 0.01 | Math (%): 100.00 | |
►.omp_outlined.#0x6c2070+ | libgromacs_mpi.so.9.0.0 | 0.03 | 0.00 | 0.02 | 0.00 | 0.01 | 0.00 | 95 | 0.03 | 0.00 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 1546 - partition.cpp:1436-2053 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.03 | 0.00 | 0.04 | 0.00 | 0.01 | 0.00 | 2 | 0.01 | 0.00 | | |
►Loop 1547 - partition.cpp:1436-2050 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.03 | 0.03 | 0.03 | 0.02 | 0.01 | 0.01 | 91 | 0.03 | 0.00 | | |
○Loop 1564 - partition.cpp:1667-1669 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 4 | 0.01 | 0.00 | | |
○Loop 1551 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1552 - stl_algobase.h:2067-2081 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1554 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1553 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1555 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1556 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1562 - partition.cpp:1680-1688 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1548 - stl_uninitialized.h:1031-1031 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1563 - partition.cpp:1667-1669 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1561 - partition.cpp:1680-1685 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1558 - partition.cpp:1741-1743 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0.00 | 0.00 | | |
○Loop 1560 - partition.cpp:1698-1700 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1559 - partition.cpp:1698-1700 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1550 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1557 - partition.cpp:1741-1743 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1549 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+ | libgromacs_mpi.so.9.0.0 | 0.03 | 0.00 | 0.03 | 0.00 | 0.01 | 0.00 | 78 | 0.05 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 4234 - threaded_force_buffer.cpp:78-78 - libgromacs_mpi.so.9.0.0 [...] | | 0.03 | 0.03 | 0.03 | 0.03 | 0.01 | 0.01 | 73 | 0.05 | 0.01 | | |
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, floa...+ | libgromacs_mpi.so.9.0.0 | 0.03 | 0.00 | 0.03 | 0.00 | 0.00 | 0.00 | 69 | 0.05 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 16908 - bonded.cpp:1913-2011 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.03 | 0.01 | 0.04 | 0.01 | 0.00 | 0.00 | 28 | 0.02 | 0.00 | | |
○Loop 16909 - bonded.cpp:1913-2008 - libgromacs_mpi.so.9.0.0 [...] | | 0.02 | 0.02 | 0.03 | 0.03 | 0.00 | 0.00 | 60 | 0.04 | 0.01 | | |
►gmx::dd_partition_system(_IO_FILE*, gmx::MDLogger const&, long, t_commrec const*, bool, t_state*, gmx_mtop_t const&, t_inputrec const&, gmx::MDModulesNotifiers const&, gmx::ImdSession*, pull_t*, t_state*, gmx::ForceBuffers*, gmx::MDAtoms*, ...+ | libgromacs_mpi.so.9.0.0 | 0.03 | 0.00 | 0.04 | 0.01 | 0.00 | 0.00 | 32 | 0.05 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 3415 - partition.cpp:630-630 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3478 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3535 - partition.cpp:726-733 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3483 - hashedmap.h:290-293 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3541 - partition.cpp:449-449 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3481 - partition.cpp:449-449 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3490 - stl_algobase.h:383-385 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3491 - stl_algobase.h:385-385 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3543 - partition.cpp:469-471 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3513 - partition.cpp:171-384 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
○Loop 3533 - partition.cpp:186-200 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3532 - partition.cpp:186-200 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3514 - partition.cpp:174-384 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3519 - partition.cpp:353-356 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3516 - partition.cpp:377-379 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3520 - partition.cpp:351-355 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3517 - partition.cpp:361-363 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3515 - partition.cpp:377-379 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3521 - partition.cpp:274-337 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3522 - partition.cpp:276-299 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3518 - partition.cpp:361-363 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3531 - partition.cpp:186-198 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3523 - partition.cpp:233-251 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3524 - partition.cpp:247-251 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3525 - partition.cpp:249-251 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3526 - partition.cpp:249-251 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3527 - partition.cpp:233-251 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3528 - partition.cpp:247-251 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
○Loop 3529 - partition.cpp:249-251 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3530 - partition.cpp:249-251 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3544 - partition.cpp:469-471 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3492 - stl_algobase.h:385-385 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3480 - partition.cpp:449-449 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3505 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3487 - stl_algobase.h:385-385 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0.00 | 0.00 | | |
○Loop 3498 - stl_algobase.h:383-385 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0.00 | 0.00 | | |
○Loop 3510 - partition.cpp:425-428 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3511 - partition.cpp:427-428 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3545 - partition.cpp:469-471 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3497 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3548 - partition.cpp:647-649 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3496 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3420 - partition.cpp:577-619 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3503 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3421 - partition.cpp:555-569 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3537 - utility.h:82-89 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3536 - utility.h:82-82 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3552 - partition.cpp:1183-1187 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3542 - partition.cpp:469-471 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3477 - new_allocator.h:145-145 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3506 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3546 - hashedmap.h:229-255 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 30 | 0.03 | 0.00 | | |
○Loop 3547 - hashedmap.h:232-255 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 6 | 0.00 | 0.00 | | |
○Loop 3508 - partition.cpp:449-449 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3504 - partition.cpp:2557-2561 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 0.01 | 0.00 | | |
○Loop 3549 - partition.cpp:647-649 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3500 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3493 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0.00 | 0.00 | | |
○Loop 3509 - partition.cpp:425-428 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3418 - hashedmap.h:274-282 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3419 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3512 - partition.cpp:425-435 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3482 - hashedmap.h:292-293 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 13 | 0.01 | 0.00 | | |
○Loop 3424 - partition.cpp:2206-2208 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3540 - partition.cpp:449-449 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3539 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3425 - partition.cpp:1360-2189 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.03 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3474 - partition.cpp:1924-1926 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3472 - partition.cpp:1924-1928 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3473 - partition.cpp:1924-1926 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3433 - partition.cpp:1421-1427 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3432 - partition.cpp:1423-1427 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3426 - partition.cpp:1360-2180 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.03 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3437 - partition.cpp:1361-1387 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3449 - partition.cpp:1369-1373 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3438 - partition.cpp:1376-1387 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3439 - partition.cpp:1385-1387 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3441 - partition.cpp:1385-1387 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3440 - partition.cpp:1385-1387 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3443 - partition.cpp:1376-1387 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3448 - partition.cpp:1380-1382 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3446 - partition.cpp:1387-1387 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3442 - partition.cpp:1380-1382 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3445 - partition.cpp:1385-1387 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3444 - partition.cpp:1387-1387 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3447 - partition.cpp:1380-1382 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3457 - partition.cpp:2095-2099 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3459 - partition.cpp:2095-2099 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3461 - partition.cpp:1959-2075 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3470 - partition.cpp:1968-1984 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3471 - partition.cpp:1973-1981 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3462 - stl_algobase.h:429-742 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3468 - stl_uninitialized.h:91-91 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3467 - stl_uninitialized.h:91-91 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3463 - stl_uninitialized.h:91-91 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3466 - stl_uninitialized.h:91-91 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3465 - stl_uninitialized.h:91-91 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3469 - stl_uninitialized.h:91-91 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3464 - stl_uninitialized.h:91-91 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 5 | 0.01 | 0.00 | | |
○Loop 3460 - partition.cpp:2079-2081 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3458 - partition.cpp:2095-2099 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3434 - partition.cpp:1396-1411 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3436 - utility.h:82-89 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3435 - utility.h:82-82 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3450 - partition.cpp:2150-2164 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3452 - utility.h:82-89 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 13 | 0.01 | 0.00 | | |
○Loop 3451 - utility.h:82-82 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 0.00 | 0.00 | | |
○Loop 3456 - stl_uninitialized.h:1031-1031 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3453 - partition.cpp:2150-2164 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3455 - utility.h:82-89 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
○Loop 3454 - utility.h:82-82 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3431 - partition.cpp:1421-1427 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3427 - partition.cpp:1423-1427 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3428 - partition.cpp:1423-1427 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3430 - partition.cpp:1423-1427 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3429 - partition.cpp:1423-1427 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3494 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3484 - ga2la.h:158-158 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3485 - ga2la.h:156-158 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3495 - stl_algobase.h:383-385 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3554 - partition.cpp:666-918 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
○Loop 3555 - partition.cpp:779-912 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3475 - partition.cpp:1504-1514 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3476 - partition.cpp:1507-1514 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3534 - partition.cpp:150-163 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3507 - partition.cpp:449-449 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3499 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0.00 | 0.00 | | |
○Loop 3423 - partition.cpp:2217-2221 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3502 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0.00 | 0.00 | | |
○Loop 3538 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3501 - stl_algobase.h:383-385 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 8 | 0.01 | 0.00 | | |
○Loop 3416 - mdmodulesnotifier.h:107-107 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3488 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0.00 | 0.00 | | |
○Loop 3489 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3417 - partition.cpp:615-624 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3422 - partition.cpp:3195-3197 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3479 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3551 - utility.h:82-89 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3550 - utility.h:82-82 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3553 - partition.cpp:932-936 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3486 - stl_algobase.h:383-385 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○__atan2f_finite | libm.so.6 | 0.03 | 0.03 | 0.02 | 0.02 | 0.00 | 0.00 | 71 | 0.04 | 0.00 | Math (%): 100.00 | |
○__I_MPI___intel_avx_rep_memcpy | libmpifort.so.12.0.0 | 0.02 | 0.02 | 0.06 | 0.06 | 0.00 | 0.00 | 25 | 0.10 | 0.02 | MPI (%): 100.00 | |
○MPIDIG_progress_compl_list | libmpi.so.12.0.0 | 0.02 | 0.02 | 0.04 | 0.04 | 0.00 | 0.00 | 37 | 0.09 | 0.01 | MPI (%): 100.00 | |
►.omp_outlined..3#0xc01c30+ | libgromacs_mpi.so.9.0.0 | 0.02 | 0.00 | 0.03 | 0.00 | 0.00 | 0.00 | 55 | 0.05 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 14248 - pme_grid.cpp:529-539 - libgromacs_mpi.so.9.0.0+ | | 0.02 | 0.00 | 0.04 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 14249 - pme_grid.cpp:535-539 - libgromacs_mpi.so.9.0.0+ | | 0.02 | 0.00 | 0.04 | 0.01 | 0.00 | 0.00 | 13 | 0.02 | 0.00 | | |
○Loop 14252 - pme_grid.cpp:537-539 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 14250 - pme_grid.cpp:537-539 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 14251 - pme_grid.cpp:537-539 - libgromacs_mpi.so.9.0.0 | | 0.02 | 0.02 | 0.03 | 0.03 | 0.00 | 0.00 | 52 | 0.05 | 0.01 | | |
○Loop 14253 - pme_grid.cpp:537-539 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○DftiComputeBackward | libmkl_intel_lp64.so.2 | 0.02 | 0.02 | 0.03 | 0.03 | 0.00 | 0.00 | 55 | 0.05 | 0.01 | Math (%): 100.00 | |
○__kmp_fork_call | libomp.so | 0.02 | 0.00 | 0.04 | 0.00 | 0.00 | 0.00 | 41 | 0.05 | 0.01 | OMP (%): 100.00 | |
○MPIDIG_send_target_msg_cb | libmpi.so.12.0.0 | 0.02 | 0.02 | 0.04 | 0.04 | 0.00 | 0.00 | 34 | 0.06 | 0.01 | MPI (%): 100.00 | |
○__kmp_invoke_microtask | libomp.so | 0.02 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 81 | 0.02 | 0.00 | OMP (%): 100.00 | |
○int __kmp_barrier_template<false>(barrier_type, int, int, unsigned long, void*, void (*)(void*, void*)) [clone .isra.33] | libomp.so | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 79 | 0.02 | 0.00 | OMP (%): 100.00 | |
○DftiComputeForward | libmkl_intel_lp64.so.2 | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 54 | 0.03 | 0.00 | Math (%): 100.00 | |
○mkl_dft_def_ippsFFTInv_CCSToR_32f | libmkl_def.so.2 | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 49 | 0.04 | 0.01 | Math (%): 100.00 | |
○__kmp_yield | libomp.so | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 61 | 0.03 | 0.00 | OMP (%): 100.00 | |
►.omp_outlined..73+ | libgromacs_mpi.so.9.0.0 | 0.02 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 66 | 0.03 | 0.00 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 15303 - sim_util.cpp:151-151 - libgromacs_mpi.so.9.0.0 [...] | | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 65 | 0.03 | 0.00 | | |
○__kmp_launch_thread | libomp.so | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 63 | 0.03 | 0.00 | OMP (%): 100.00 | |
►calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3])+ | libgromacs_mpi.so.9.0.0 | 0.02 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 63 | 0.02 | 0.00 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 14261 - calcvir.cpp:61-67 - libgromacs_mpi.so.9.0.0 [...] | | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 63 | 0.02 | 0.00 | | |
○Loop 14262 - calcvir.cpp:61-81 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○__kmp_internal_fork | libomp.so | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 36 | 0.04 | 0.01 | OMP (%): 100.00 | |
►Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*)+ | libgromacs_mpi.so.9.0.0 | 0.02 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 65 | 0.02 | 0.00 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○Loop 1786 - grid.cpp:634-636 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1792 - grid.cpp:818-870 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 17 | 0.00 | 0.00 | | |
○Loop 1793 - grid.cpp:825-836 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 36 | 0.01 | 0.00 | | |
○Loop 1787 - grid.cpp:477-484 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1784 - grid.cpp:599-606 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1789 - grid.cpp:923-925 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1785 - grid.cpp:634-636 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1788 - grid.cpp:532-539 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 0.00 | | |
○Loop 1790 - grid.cpp:923-925 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 6 | 0.01 | 0.00 | | |
○Loop 1783 - grid.cpp:505-512 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1791 - grid.cpp:913-917 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○compute_1d_small_bwd | libmkl_def.so.2 | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 43 | 0.04 | 0.00 | Math (%): 100.00 | |
○compute_1d_small_fwd | libmkl_def.so.2 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 43 | 0.04 | 0.00 | Math (%): 100.00 | |
►nbnxn_atomdata_set(nbnxn_atomdata_t*, Nbnxm::GridSet const&, gmx::ArrayRef<int const>, gmx::ArrayRef<float const>, gmx::ArrayRef<long const>)+ | libgromacs_mpi.so.9.0.0 | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 31 | 0.03 | 0.01 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 1356 - atomdata.cpp:745-780 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1360 - atomdata.cpp:748-766 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1362 - atomdata.cpp:763-766 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1364 - atomdata.cpp:757-760 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1363 - atomdata.cpp:757-760 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1361 - atomdata.cpp:765-765 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1357 - atomdata.cpp:748-780 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 7 | 0.00 | 0.00 | | |
○Loop 1358 - atomdata.cpp:772-775 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 0.00 | | |
○Loop 1359 - atomdata.cpp:772-774 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 8 | 0.01 | 0.00 | | |
►Loop 1365 - atomdata.cpp:125-686 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1366 - atomdata.cpp:125-686 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 8 | 0.00 | 0.00 | | |
○Loop 1371 - atomdata.cpp:125-127 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0.00 | 0.00 | | |
○Loop 1370 - atomdata.cpp:125-127 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0.00 | 0.00 | | |
○Loop 1368 - atomdata.cpp:132-132 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1367 - atomdata.cpp:130-132 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
○Loop 1369 - atomdata.cpp:132-132 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
►Loop 1344 - atomdata.cpp:842-889 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1345 - atomdata.cpp:842-889 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1347 - atomdata.cpp:842-854 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1346 - atomdata.cpp:848-854 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1353 - atomdata.cpp:803-824 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1354 - atomdata.cpp:810-824 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1355 - atomdata.cpp:816-824 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1348 - atomdata.cpp:656-709 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1349 - atomdata.cpp:656-709 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.02 | 0.01 | 0.00 | 0.00 | 2 | 0.02 | 0.00 | | |
○Loop 1352 - atomdata.cpp:656-662 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1350 - atomdata.cpp:656-662 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1351 - atomdata.cpp:656-662 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 25 | 0.02 | 0.00 | | |
►Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData*, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, nbnxn_atomdata_t*, gmx::Range<int>, gmx::ArrayRef<int>)+ | libgromacs_mpi.so.9.0.0 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 52 | 0.02 | 0.00 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 1794 - grid.cpp:1048-1095 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.02 | 0.01 | 0.00 | 0.00 | 21 | 0.01 | 0.00 | | |
○Loop 1795 - grid.cpp:1070-1089 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 40 | 0.02 | 0.00 | | |
○__kmp_join_call | libomp.so | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 37 | 0.03 | 0.01 | OMP (%): 100.00 | |
►.omp_outlined.#0x69eab0+ | libgromacs_mpi.so.9.0.0 | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 43 | 0.03 | 0.00 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 1566 - domdec_constraints.cpp:206-457 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.04 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1567 - domdec_constraints.cpp:206-252 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.01 | 0.04 | 0.02 | 0.00 | 0.00 | 24 | 0.02 | 0.00 | | |
○Loop 1574 - domdec_constraints.cpp:226-229 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1573 - domdec_constraints.cpp:226-229 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 1569 - ga2la.h:112-126 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 7 | 0.00 | 0.00 | | |
○Loop 1570 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 0.02 | 0.00 | | |
○Loop 1575 - domdec_constraints.cpp:226-229 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1568 - mtop_lookup.h:93-106 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0.00 | 0.00 | | |
►Loop 1571 - hashedmap.h:274-282 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 9 | 0.00 | 0.00 | | |
○Loop 1572 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 17 | 0.00 | 0.00 | | |
○Loop 1576 - domdec_constraints.cpp:226-229 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1577 - domdec_constraints.cpp:226-236 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○mkl_dft_def_ippsDFTInv_CToC_32fc | libmkl_def.so.2 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 42 | 0.03 | 0.00 | Math (%): 100.00 | |
○MPIDI_GPU_request_free | libmpi.so.12.0.0 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 30 | 0.03 | 0.01 | MPI (%): 100.00 | |
►int make_bondeds_zone<false>(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&, bool, int const*, b...+ | libgromacs_mpi.so.9.0.0 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 48 | 0.02 | 0.00 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 3317 - localtopology.cpp:104-701 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.01 | 0.02 | 0.01 | 0.00 | 0.00 | 42 | 0.01 | 0.00 | | |
○Loop 3318 - stl_algo.h:568-573 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 11 | 0.01 | 0.00 | | |
○mkl_serv_verbose_mode | libmkl_core.so.2 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 45 | 0.02 | 0.00 | Math (%): 100.00 | |
○compute_1d_small_bwd | libmkl_def.so.2 | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.00 | 34 | 0.04 | 0.01 | Math (%): 100.00 | |
○gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.9.0.0 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 34 | 0.04 | 0.00 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
○compute_1d_small_fwd | libmkl_def.so.2 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 37 | 0.03 | 0.00 | Math (%): 100.00 | |
►setup_specat_communication(gmx_domdec_t*, std::vector<int, std::allocator<int> >*, gmx_domdec_specat_comm_t*, gmx::HashedMap<int>*, int, int, char const*, char const*)+ | libgromacs_mpi.so.9.0.0 | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 25 | 0.03 | 0.00 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 3243 - hashedmap.h:274-282 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3244 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3257 - vector.tcc:617-680 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 0.00 | | |
►Loop 3245 - hashedmap.h:274-282 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3246 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3247 - domdec_specatomcomm.cpp:438-566 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.04 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3251 - vector.tcc:464-680 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.03 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
○Loop 3253 - domdec_specatomcomm.cpp:503-503 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3254 - hashedmap.h:274-282 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.03 | 0.01 | 0.00 | 0.00 | 12 | 0.01 | 0.00 | | |
○Loop 3256 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 20 | 0.02 | 0.00 | | |
○Loop 3255 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 5 | 0.00 | 0.00 | | |
○Loop 3252 - domdec_specatomcomm.cpp:527-529 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 3248 - domdec_specatomcomm.cpp:564-566 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0.00 | 0.00 | | |
○Loop 3250 - hashedmap.h:167-170 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 3249 - hashedmap.h:187-189 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►.omp_outlined..39+ | libgromacs_mpi.so.9.0.0 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 47 | 0.01 | 0.00 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 2619 - pairlist.cpp:3725-3827 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 2620 - pairlist.cpp:3725-3827 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.02 | 0.01 | 0.00 | 0.00 | 18 | 0.01 | 0.00 | | |
►Loop 2621 - vector.tcc:477-504 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 4 | 0.01 | 0.00 | | |
○Loop 2623 - new_allocator.h:162-162 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2622 - stl_uninitialized.h:318-318 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2628 - stl_uninitialized.h:318-318 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2624 - stl_uninitialized.h:318-318 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
►Loop 2625 - pairlist.cpp:3733-3733 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 27 | 0.01 | 0.00 | | |
○Loop 2627 - new_allocator.h:162-162 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2626 - stl_uninitialized.h:318-318 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2617 - pairlist.cpp:2996-2996 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 2618 - pairlist.cpp:2996-2996 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○mkl_dft_def_ippsFFTFwd_RToPerm_32f | libmkl_def.so.2 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 38 | 0.03 | 0.00 | Math (%): 100.00 | |
►.omp_outlined.#0xbe5d40+ | libgromacs_mpi.so.9.0.0 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 44 | 0.02 | 0.00 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 1417 - listed_forces.cpp:388-451 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 3 | 0.00 | 0.00 | | |
○Loop 1418 - utilities.h:56-57 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 38 | 0.01 | 0.00 | | |
○MPIR_Sendrecv_impl | libmpi.so.12.0.0 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 28 | 0.03 | 0.01 | MPI (%): 100.00 | |
○mkl_dft_def_ippsDFTFwd_RToCCS_32f | libmkl_def.so.2 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 40 | 0.02 | 0.00 | Math (%): 100.00 | |
►.omp_outlined.#0xc018f0+ | libgromacs_mpi.so.9.0.0 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 38 | 0.02 | 0.00 | /home/eoseret/gromacs-2024.2/install_MPI/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | AMD clang version 16.0.3 (CLANG: AOCC_4.1.0-Build#270 2023_07_10) /cluster/comp/aocc/4.1.0/bin/clang-16 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/g... |
►Loop 1405 - pme_grid.cpp:512-522 - libgromacs_mpi.so.9.0.0+ | | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 5 | 0.01 | 0.00 | | |
►Loop 1406 - pme_grid.cpp:518-522 - libgromacs_mpi.so.9.0.0+ | | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
○Loop 1407 - pme_grid.cpp:520-522 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1410 - pme_grid.cpp:520-522 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1408 - pme_grid.cpp:520-522 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
○Loop 1409 - pme_grid.cpp:520-522 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 31 | 0.02 | 0.00 | | |
○__kmp_join_barrier(int) | libomp.so | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 40 | 0.03 | 0.00 | OMP (%): 100.00 | |
○MPI_Waitall | libmpi.so.12.0.0 | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.00 | 26 | 0.04 | 0.01 | MPI (%): 100.00 | |