| 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 |
|---|
| ○gomp_barrier_wait_end | libgomp.so.1.0.0 | 24.03 | 24.03 | 7.32 | 7.32 | 3.99 | 3.99 | 185 | 20.25 | 2.46 | OMP (%): 100.00 | |
| ►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 | 17.39 | 0.00 | 3.91 | 0.01 | 2.89 | 0.00 | 128 | 3.46 | 0.20 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 3475 - simd_kernel.h:273-545 - libgromacs_mpi.so.9.0.0 [...]+ | | 17.38 | 0.51 | 6.21 | 0.18 | 2.88 | 0.08 | 128 | 0.22 | 0.03 | | |
| ○Loop 3478 - simd_kernel.h:510-513 - libgromacs_mpi.so.9.0.0 [...] | | 0.02 | 0.02 | 0.04 | 0.04 | 0.00 | 0.00 | 31 | 0.07 | 0.01 | | |
| ○Loop 3476 - simd_kernel.h:476-476 - libgromacs_mpi.so.9.0.0 [...] | | 12.01 | 12.01 | 3.53 | 3.53 | 1.99 | 1.99 | 128 | 6.03 | 0.72 | | |
| ○Loop 3481 - impl_x86_avx_512_simd_float.h:84-84 - libgromacs_mpi.so.9.0.0 [...] | | 0.27 | 0.27 | 0.18 | 0.18 | 0.04 | 0.04 | 115 | 0.30 | 0.04 | | |
| ○Loop 3480 - simd_kernel.h:497-497 - libgromacs_mpi.so.9.0.0 [...] | | 3.91 | 3.91 | 1.76 | 1.76 | 0.65 | 0.65 | 128 | 4.07 | 0.52 | | |
| ○Loop 3479 - simd_kernel.h:518-518 - libgromacs_mpi.so.9.0.0 [...] | | 0.32 | 0.32 | 0.39 | 0.39 | 0.05 | 0.05 | 43 | 0.89 | 0.11 | | |
| ○Loop 3477 - impl_x86_avx_512_simd_float.h:84-84 - libgromacs_mpi.so.9.0.0 [...] | | 0.35 | 0.35 | 0.13 | 0.13 | 0.06 | 0.06 | 128 | 0.19 | 0.02 | | |
| ►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 | 12.19 | 0.00 | 2.77 | 0.01 | 2.02 | 0.00 | 128 | 2.72 | 0.19 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 3601 - simd_kernel.h:273-545 - libgromacs_mpi.so.9.0.0 [...]+ | | 12.19 | 0.41 | 4.31 | 0.14 | 2.02 | 0.07 | 128 | 0.17 | 0.02 | | |
| ○Loop 3605 - simd_kernel.h:518-518 - libgromacs_mpi.so.9.0.0 [...] | | 0.23 | 0.23 | 0.28 | 0.28 | 0.04 | 0.04 | 62 | 0.71 | 0.09 | | |
| ○Loop 3603 - impl_x86_avx_512_simd_float.h:84-84 - libgromacs_mpi.so.9.0.0 [...] | | 0.30 | 0.30 | 0.12 | 0.12 | 0.05 | 0.05 | 128 | 0.19 | 0.02 | | |
| ○Loop 3607 - impl_x86_avx_512_simd_float.h:84-84 - libgromacs_mpi.so.9.0.0 [...] | | 0.22 | 0.22 | 0.12 | 0.12 | 0.04 | 0.04 | 121 | 0.24 | 0.03 | | |
| ○Loop 3602 - simd_kernel.h:476-476 - libgromacs_mpi.so.9.0.0 [...] | | 8.36 | 8.36 | 2.53 | 2.53 | 1.39 | 1.39 | 128 | 4.32 | 0.52 | | |
| ○Loop 3606 - simd_kernel.h:497-497 - libgromacs_mpi.so.9.0.0 [...] | | 2.65 | 2.65 | 1.08 | 1.08 | 0.44 | 0.44 | 127 | 2.62 | 0.33 | | |
| ○Loop 3604 - simd_kernel.h:510-513 - libgromacs_mpi.so.9.0.0 [...] | | 0.02 | 0.02 | 0.04 | 0.04 | 0.00 | 0.00 | 34 | 0.07 | 0.01 | | |
| ○gomp_team_barrier_wait_end | libgomp.so.1.0.0 | 6.90 | 6.90 | 2.56 | 2.56 | 1.15 | 1.15 | 192 | 5.27 | 0.62 | OMP (%): 100.00 | |
| ○ADIOI_GEN_SetLockDirect64 | libmpi.so.12.0.0 | 6.15 | 6.15 | 6.01 | 6.01 | 1.02 | 1.02 | 48 | 10.65 | 1.75 | MPI (%): 100.00 | |
| ►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 | 2.99 | 0.00 | 0.72 | 0.00 | 0.50 | 0.00 | 128 | 0.71 | 0.05 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 3482 - simd_kernel.h:273-555 - libgromacs_mpi.so.9.0.0 [...]+ | | 2.99 | 0.07 | 1.20 | 0.04 | 0.50 | 0.01 | 124 | 0.06 | 0.01 | | |
| ○Loop 3483 - simd_kernel.h:476-476 - libgromacs_mpi.so.9.0.0 [...] | | 2.05 | 2.05 | 0.66 | 0.66 | 0.34 | 0.34 | 128 | 1.06 | 0.13 | | |
| ○Loop 3485 - simd_kernel.h:510-513 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 18 | 0.04 | 0.00 | | |
| ○Loop 3484 - impl_x86_avx_512_simd_float.h:84-84 - libgromacs_mpi.so.9.0.0 [...] | | 0.06 | 0.06 | 0.04 | 0.04 | 0.01 | 0.01 | 114 | 0.06 | 0.01 | | |
| ○Loop 3488 - impl_x86_avx_512_simd_float.h:84-84 - libgromacs_mpi.so.9.0.0 [...] | | 0.04 | 0.04 | 0.04 | 0.04 | 0.01 | 0.01 | 84 | 0.07 | 0.01 | | |
| ○Loop 3487 - simd_kernel.h:497-497 - libgromacs_mpi.so.9.0.0 [...] | | 0.71 | 0.71 | 0.35 | 0.35 | 0.12 | 0.12 | 126 | 0.73 | 0.09 | | |
| ○Loop 3486 - simd_kernel.h:518-518 - libgromacs_mpi.so.9.0.0 [...] | | 0.05 | 0.05 | 0.05 | 0.05 | 0.01 | 0.01 | 36 | 0.11 | 0.01 | | |
| ○f64xsubf128 | libm.so.6 | 2.37 | 2.37 | 1.60 | 1.60 | 0.39 | 0.39 | 119 | 3.82 | 0.63 | Math (%): 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 | 2.09 | 0.00 | 0.49 | 0.00 | 0.35 | 0.00 | 128 | 0.44 | 0.03 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 3608 - simd_kernel.h:273-555 - libgromacs_mpi.so.9.0.0 [...]+ | | 2.09 | 0.06 | 0.84 | 0.03 | 0.35 | 0.01 | 121 | 0.05 | 0.01 | | |
| ○Loop 3611 - simd_kernel.h:510-513 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 10 | 0.02 | 0.00 | | |
| ○Loop 3614 - impl_x86_avx_512_simd_float.h:84-84 - libgromacs_mpi.so.9.0.0 [...] | | 0.04 | 0.04 | 0.04 | 0.04 | 0.01 | 0.01 | 88 | 0.05 | 0.01 | | |
| ○Loop 3613 - simd_kernel.h:497-497 - libgromacs_mpi.so.9.0.0 [...] | | 0.47 | 0.47 | 0.21 | 0.21 | 0.08 | 0.08 | 124 | 0.49 | 0.06 | | |
| ○Loop 3612 - simd_kernel.h:518-518 - libgromacs_mpi.so.9.0.0 [...] | | 0.03 | 0.03 | 0.05 | 0.05 | 0.01 | 0.01 | 38 | 0.10 | 0.01 | | |
| ○Loop 3609 - simd_kernel.h:476-476 - libgromacs_mpi.so.9.0.0 [...] | | 1.43 | 1.43 | 0.45 | 0.45 | 0.24 | 0.24 | 128 | 0.74 | 0.09 | | |
| ○Loop 3610 - impl_x86_avx_512_simd_float.h:84-84 - libgromacs_mpi.so.9.0.0 [...] | | 0.05 | 0.05 | 0.04 | 0.04 | 0.01 | 0.01 | 112 | 0.06 | 0.01 | | |
| ○energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*) [clone .isra.0] | libgromacs_mpi.so.9.0.0 | 1.92 | 1.92 | 1.34 | 1.34 | 0.32 | 0.32 | 48 | 1.51 | 0.25 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)+ | libgromacs_mpi.so.9.0.0 | 1.81 | 0.00 | 1.13 | 0.01 | 0.30 | 0.00 | 64 | 1.95 | 0.20 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 18915 - pme_gather.cpp:81-348 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.81 | 1.81 | 1.13 | 1.13 | 0.30 | 0.30 | 64 | 1.95 | 0.20 | | |
| ►Loop 18918 - 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 18917 - 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 18919 - 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 18916 - pme_gather.cpp:169-251 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○MPIDI_SHMGR_Gather | libmpi.so.12.0.0 | 1.58 | 1.58 | 1.95 | 1.95 | 0.26 | 0.26 | 48 | 4.77 | 0.79 | MPI (%): 100.00 | |
| ►void nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, bool, int, bool, fl...+ | libgromacs_mpi.so.9.0.0 | 1.50 | 0.00 | 0.40 | 0.00 | 0.25 | 0.00 | 128 | 0.48 | 0.04 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 5237 - pairlist.cpp:2996-2998 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 5234 - pairlist.cpp:162-3642 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.50 | 0.00 | 0.80 | 0.00 | 0.25 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 5235 - pairlist.cpp:162-3642 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.50 | 0.00 | 0.80 | 0.00 | 0.25 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 5194 - pairlist.cpp:162-3642 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.50 | 0.00 | 0.80 | 0.01 | 0.25 | 0.00 | 13 | 0.00 | 0.00 | | |
| ►Loop 5200 - stl_vector.h:990-1936 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.35 | 0.02 | 0.62 | 0.02 | 0.22 | 0.00 | 66 | 0.03 | 0.00 | | |
| ►Loop 5204 - stl_vector.h:990-1936 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 5205 - pairlist.cpp:1482-1740 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5206 - pairlist.cpp:1482-1740 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5224 - pairlist.cpp:2082-2086 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 57 | 0.02 | 0.00 | | |
| ►Loop 5199 - new_allocator.h:187-187 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.31 | 0.02 | 0.56 | 0.02 | 0.22 | 0.00 | 73 | 0.03 | 0.00 | | |
| ○Loop 5198 - pairlist.cpp:3378-3437 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 25 | 0.01 | 0.00 | | |
| ►Loop 5211 - pairlist.cpp:162-3583 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.28 | 0.04 | 0.53 | 0.02 | 0.21 | 0.01 | 101 | 0.04 | 0.00 | | |
| ►Loop 5212 - pairlist.cpp:162-3583 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.24 | 0.74 | 0.51 | 0.27 | 0.21 | 0.12 | 128 | 0.33 | 0.04 | | |
| ○Loop 5216 - pairlist.cpp:1057-1093 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5222 - pairlist.cpp:3519-3520 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 7 | 0.01 | 0.00 | | |
| ○Loop 5217 - pairlist.cpp:1012-1048 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5220 - pairlist.cpp:162-964 - libgromacs_mpi.so.9.0.0 [...] | | 0.05 | 0.05 | 0.03 | 0.03 | 0.01 | 0.01 | 116 | 0.05 | 0.01 | | |
| ○Loop 5214 - stl_algobase.h:931-931 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5223 - pairlist.cpp:3504-3505 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 7 | 0.02 | 0.00 | | |
| ○Loop 5219 - new_allocator.h:187-187 - libgromacs_mpi.so.9.0.0 [...] | | 0.07 | 0.07 | 0.03 | 0.03 | 0.01 | 0.01 | 123 | 0.05 | 0.01 | | |
| ○Loop 5215 - pairlist.cpp:943-1105 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5213 - stl_algobase.h:931-931 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5218 - pairlist.cpp:162-226 - libgromacs_mpi.so.9.0.0 [...] | | 0.31 | 0.31 | 0.11 | 0.11 | 0.05 | 0.05 | 128 | 0.13 | 0.01 | | |
| ○Loop 5221 - pairlist.cpp:162-226 - libgromacs_mpi.so.9.0.0 [...] | | 0.07 | 0.07 | 0.04 | 0.04 | 0.01 | 0.01 | 124 | 0.06 | 0.01 | | |
| ►Loop 5201 - stl_vector.h:990-1936 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 5202 - pairlist.cpp:1482-1740 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5203 - pairlist.cpp:1482-1740 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5226 - pairlist.cpp:2099-2101 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 15 | 0.01 | 0.00 | | |
| ○Loop 5225 - pairlist.cpp:2092-2096 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 36 | 0.01 | 0.00 | | |
| ►Loop 5195 - pairlist.cpp:2868-3623 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.04 | 0.01 | 0.06 | 0.01 | 0.01 | 0.00 | 61 | 0.02 | 0.00 | | |
| ○Loop 5233 - pairlist.cpp:2883-2889 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 15 | 0.01 | 0.00 | | |
| ○Loop 5196 - pairlist.cpp:3318-3349 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 31 | 0.01 | 0.00 | | |
| ○Loop 5232 - pairlist.cpp:2883-2886 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 9 | 0.02 | 0.00 | | |
| ○Loop 5197 - pairlist.cpp:3349-3378 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 53 | 0.02 | 0.00 | | |
| ►Loop 5208 - pairlist.cpp:1277-3642 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5209 - pairlist.h:102-102 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0.00 | 0.00 | | |
| ○Loop 5231 - pairlist.cpp:1280-1282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 4 | 0.01 | 0.00 | | |
| ○Loop 5210 - pairlist.cpp:1277-1282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 19 | 0.01 | 0.00 | | |
| ►Loop 5227 - pairlist.cpp:1330-1430 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.09 | 0.02 | 0.09 | 0.02 | 0.02 | 0.00 | 79 | 0.03 | 0.00 | | |
| ►Loop 5228 - pairlist.cpp:1330-1430 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.07 | 0.06 | 0.07 | 0.04 | 0.01 | 0.01 | 115 | 0.06 | 0.01 | | |
| ○Loop 5229 - pairlist.cpp:1341-1349 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 9 | 0.00 | 0.00 | | |
| ○Loop 5230 - pairlist.cpp:1341-1357 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 37 | 0.04 | 0.00 | | |
| ○Loop 5207 - pairlist.cpp:1277-1390 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 16 | 0.00 | 0.00 | | |
| ○Loop 5236 - pairlist.cpp:2996-2998 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○erfcf | libm.so.6 | 1.46 | 1.46 | 1.06 | 1.06 | 0.24 | 0.24 | 48 | 1.29 | 0.21 | Math (%): 100.00 | |
| ►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.1]+ | libgromacs_mpi.so.9.0.0 | 1.44 | 0.00 | 0.84 | 0.01 | 0.24 | 0.00 | 64 | 1.54 | 0.16 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 19112 - pme_spread.cpp:186-988 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.44 | 0.00 | 0.99 | 0.00 | 0.24 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 19113 - pme_spread.cpp:186-988 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.44 | 0.00 | 0.99 | 0.00 | 0.24 | 0.00 | 2 | 0.00 | 0.00 | | |
| ►Loop 19129 - pme_spread.cpp:277-292 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.50 | 0.50 | 0.35 | 0.35 | 0.08 | 0.08 | 64 | 0.58 | 0.06 | | |
| ►Loop 19130 - 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 19132 - 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 19131 - 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 19114 - pme_spread.cpp:186-988 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.93 | 0.00 | 0.64 | 0.01 | 0.15 | 0.00 | 14 | 0.02 | 0.00 | | |
| ►Loop 19121 - pme_spread.cpp:400-447 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.11 | 0.00 | 0.11 | 0.00 | 0.02 | 0.00 | 1 | 0.00 | 0.00 | | |
| ►Loop 19120 - pme_spread.cpp:441-447 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.11 | 0.06 | 0.10 | 0.05 | 0.02 | 0.01 | 61 | 0.13 | 0.02 | | |
| ○Loop 19119 - 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 19122 - pme_spread.cpp:445-447 - libgromacs_mpi.so.9.0.0 | | 0.05 | 0.05 | 0.05 | 0.05 | 0.01 | 0.01 | 60 | 0.11 | 0.01 | | |
| ►Loop 19123 - pme_spread.cpp:358-936 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.81 | 0.81 | 0.49 | 0.49 | 0.13 | 0.13 | 64 | 0.81 | 0.08 | | |
| ○Loop 19124 - pme_simd4.h:138-141 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 19127 - pme_spread.cpp:400-936 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 19126 - pme_spread.cpp:400-936 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 19128 - 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 19125 - 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 19116 - pme_spread.cpp:188-358 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.01 | 0.02 | 0.01 | 0.00 | 0.00 | 24 | 0.01 | 0.00 | | |
| ○Loop 19117 - 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 19118 - pme_spread.cpp:197-199 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 24 | 0.02 | 0.00 | | |
| ○Loop 19115 - pme_spread.cpp:277-970 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►void nbnxmSimdPruneKernel<(KernelLayout)1>(NbnxnPairlistCpu*, nbnxn_atomdata_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+ | libgromacs_mpi.so.9.0.0 | 1.06 | 0.00 | 0.29 | 0.01 | 0.18 | 0.00 | 128 | 0.28 | 0.03 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 5328 - simd_prune_kernel.cpp:106-230 - libgromacs_mpi.so.9.0.0 [...]+ | | 1.06 | 0.08 | 0.33 | 0.04 | 0.18 | 0.01 | 123 | 0.07 | 0.01 | | |
| ○Loop 5329 - simd_prune_kernel.cpp:144-206 - libgromacs_mpi.so.9.0.0 [...] | | 0.98 | 0.98 | 0.28 | 0.28 | 0.16 | 0.16 | 128 | 0.27 | 0.03 | | |
| ►fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+ | libgromacs_mpi.so.9.0.0 | 0.95 | 0.00 | 0.54 | 0.01 | 0.16 | 0.00 | 64 | 0.67 | 0.06 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 19211 - fft5d.cpp:1064-1080 - libgromacs_mpi.so.9.0.0+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 19210 - fft5d.cpp:1066-1080 - libgromacs_mpi.so.9.0.0+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 19213 - fft5d.cpp:1066-1078 - libgromacs_mpi.so.9.0.0+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 19212 - fft5d.cpp:1071-1073 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 19197 - fft5d.cpp:758-1369 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.95 | 0.01 | 0.70 | 0.01 | 0.16 | 0.00 | 31 | 0.02 | 0.00 | | |
| ►Loop 19206 - fft5d.cpp:758-789 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.29 | 0.00 | 0.19 | 0.01 | 0.05 | 0.00 | 7 | 0.01 | 0.00 | | |
| ►Loop 19207 - fft5d.cpp:779-789 - libgromacs_mpi.so.9.0.0+ | | 0.29 | 0.00 | 0.18 | 0.01 | 0.05 | 0.00 | 10 | 0.01 | 0.00 | | |
| ►Loop 19209 - fft5d.cpp:783-789 - libgromacs_mpi.so.9.0.0+ | | 0.29 | 0.29 | 0.17 | 0.17 | 0.05 | 0.05 | 64 | 0.27 | 0.03 | | |
| ○Loop 19208 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 19202 - fft5d.cpp:887-918 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.19 | 0.00 | 0.16 | 0.00 | 0.03 | 0.00 | 4 | 0.01 | 0.00 | | |
| ►Loop 19203 - fft5d.cpp:908-918 - libgromacs_mpi.so.9.0.0+ | | 0.19 | 0.00 | 0.15 | 0.00 | 0.03 | 0.00 | 2 | 0.01 | 0.00 | | |
| ►Loop 19205 - fft5d.cpp:912-918 - libgromacs_mpi.so.9.0.0+ | | 0.19 | 0.01 | 0.15 | 0.02 | 0.03 | 0.00 | 30 | 0.03 | 0.00 | | |
| ○Loop 19204 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.0 | | 0.18 | 0.18 | 0.13 | 0.13 | 0.03 | 0.03 | 64 | 0.20 | 0.02 | | |
| ►Loop 19198 - fft5d.cpp:823-855 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.46 | 0.00 | 0.34 | 0.00 | 0.08 | 0.00 | 3 | 0.01 | 0.00 | | |
| ►Loop 19199 - fft5d.cpp:845-855 - libgromacs_mpi.so.9.0.0+ | | 0.46 | 0.00 | 0.33 | 0.01 | 0.08 | 0.00 | 10 | 0.01 | 0.00 | | |
| ►Loop 19201 - fft5d.cpp:849-855 - libgromacs_mpi.so.9.0.0+ | | 0.46 | 0.05 | 0.32 | 0.06 | 0.08 | 0.01 | 62 | 0.10 | 0.01 | | |
| ○Loop 19200 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.0 | | 0.41 | 0.41 | 0.26 | 0.26 | 0.07 | 0.07 | 64 | 0.31 | 0.03 | | |
| ○MPIR_Progress_hook_exec_on_vci | libmpi.so.12.0.0 | 0.89 | 0.89 | 0.88 | 0.88 | 0.15 | 0.15 | 48 | 1.60 | 0.26 | MPI (%): 100.00 | |
| ►copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)+ | libgromacs_mpi.so.9.0.0 | 0.79 | 0.23 | 0.26 | 0.09 | 0.13 | 0.04 | 128 | 0.45 | 0.05 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 4106 - atomdata.cpp:193-203 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 4108 - atomdata.cpp:226-236 - libgromacs_mpi.so.9.0.0 | | 0.57 | 0.57 | 0.22 | 0.22 | 0.09 | 0.09 | 128 | 0.38 | 0.04 | | |
| ○Loop 4103 - 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 4109 - atomdata.cpp:161-163 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 4105 - atomdata.cpp:207-217 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 4110 - 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 4107 - atomdata.cpp:240-250 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
| ○Loop 4104 - atomdata.cpp:172-176 - 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>) [clone .isra.0]+ | libgromacs_mpi.so.9.0.0 | 0.70 | 0.00 | 0.29 | 0.01 | 0.12 | 0.00 | 124 | 0.63 | 0.08 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 16661 - lincs.cpp:264-363 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.70 | 0.00 | 0.29 | 0.01 | 0.12 | 0.00 | 15 | 0.01 | 0.00 | | |
| ►Loop 16660 - lincs.cpp:284-295 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.69 | 0.69 | 0.29 | 0.29 | 0.11 | 0.11 | 124 | 0.63 | 0.08 | | |
| ○Loop 16665 - 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 16658 - lincs.cpp:289-348 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 16657 - lincs.cpp:330-348 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 16659 - 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 16662 - lincs.cpp:278-295 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 16663 - lincs.cpp:284-295 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 16664 - 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 | | |
| ►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.0]+ | libgromacs_mpi.so.9.0.0 | 0.54 | 0.00 | 0.29 | 0.01 | 0.09 | 0.00 | 64 | 0.37 | 0.04 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 19146 - pme_spread.cpp:75-918 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.54 | 0.00 | 0.37 | 0.01 | 0.09 | 0.00 | 7 | 0.02 | 0.00 | | |
| ○Loop 19150 - pme_spread.cpp:104-145 - libgromacs_mpi.so.9.0.0 [...] | | 0.42 | 0.42 | 0.25 | 0.25 | 0.07 | 0.07 | 64 | 0.34 | 0.04 | | |
| ○Loop 19151 - pme_spread.cpp:96-98 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0.00 | 0.00 | | |
| ○Loop 19149 - pme_spread.cpp:154-156 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 19147 - 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 19148 - pme_spread.cpp:172-174 - libgromacs_mpi.so.9.0.0 | | 0.11 | 0.11 | 0.10 | 0.10 | 0.02 | 0.02 | 64 | 0.11 | 0.01 | | |
| ►clearForceBuffer(nbnxn_atomdata_t*, int)+ | libgromacs_mpi.so.9.0.0 | 0.49 | 0.00 | 0.19 | 0.01 | 0.08 | 0.00 | 128 | 0.33 | 0.04 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 4320 - kernel_common.cpp:56-74 - libgromacs_mpi.so.9.0.0 [...] | | 0.49 | 0.49 | 0.19 | 0.19 | 0.08 | 0.08 | 128 | 0.33 | 0.04 | | |
| ○MPID_Progress_wait | libmpi.so.12.0.0 | 0.46 | 0.46 | 0.50 | 0.50 | 0.08 | 0.08 | 48 | 0.83 | 0.14 | MPI (%): 100.00 | |
| ►gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...+ | libgromacs_mpi.so.9.0.0 | 0.45 | 0.00 | 0.23 | 0.01 | 0.07 | 0.00 | 124 | 0.48 | 0.06 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 16676 - lincs.cpp:1243-1245 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0.01 | 0.00 | | |
| ○Loop 16680 - lincs.cpp:845-857 - libgromacs_mpi.so.9.0.0 [...] | | 0.22 | 0.22 | 0.14 | 0.14 | 0.04 | 0.04 | 116 | 0.25 | 0.03 | | |
| ►Loop 16677 - lincs.cpp:966-1223 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.10 | 0.00 | 0.10 | 0.01 | 0.02 | 0.00 | 19 | 0.01 | 0.00 | | |
| ○Loop 16678 - lincs.cpp:1205-1205 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 34 | 0.02 | 0.00 | | |
| ○Loop 16679 - lincs.cpp:966-978 - libgromacs_mpi.so.9.0.0 [...] | | 0.09 | 0.09 | 0.08 | 0.08 | 0.02 | 0.02 | 103 | 0.13 | 0.02 | | |
| ○Loop 16674 - lincs.cpp:1265-1273 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 35 | 0.03 | 0.00 | | |
| ○Loop 16682 - lincs.cpp:1146-1146 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 14 | 0.00 | 0.00 | | |
| ○Loop 16675 - 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 16681 - lincs.cpp:1133-1137 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.11 | 0.09 | 0.09 | 0.06 | 0.02 | 0.02 | 115 | 0.10 | 0.01 | | |
| ○Loop 16683 - lincs.cpp:1135-1137 - libgromacs_mpi.so.9.0.0 [...] | | 0.02 | 0.02 | 0.04 | 0.04 | 0.00 | 0.00 | 54 | 0.05 | 0.01 | | |
| ►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 | 0.43 | 0.00 | 0.31 | 0.00 | 0.07 | 0.00 | 48 | 0.36 | 0.06 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 16070 - calc_verletbuf.cpp:654-853 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.43 | 0.00 | 0.31 | 0.00 | 0.07 | 0.00 | 1 | 0.00 | 0.00 | | |
| ○Loop 16071 - calc_verletbuf.h:263-284 - libgromacs_mpi.so.9.0.0 [...] | | 0.43 | 0.43 | 0.31 | 0.31 | 0.07 | 0.07 | 48 | 0.36 | 0.06 | | |
| ►void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 16, float const*, true, false>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, float (*) [3], bool*) [clone .constprop.0]+ | libgromacs_mpi.so.9.0.0 | 0.35 | 0.00 | 0.13 | 0.01 | 0.06 | 0.00 | 128 | 0.22 | 0.03 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 16999 - settle.cpp:425-433 - libgromacs_mpi.so.9.0.0 [...] | | 0.34 | 0.34 | 0.13 | 0.13 | 0.06 | 0.06 | 128 | 0.22 | 0.03 | | |
| ►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 | 0.33 | 0.00 | 0.18 | 0.01 | 0.06 | 0.00 | 118 | 0.34 | 0.04 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 16653 - 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 16654 - lincs.cpp:425-440 - libgromacs_mpi.so.9.0.0 [...] | | 0.33 | 0.33 | 0.18 | 0.18 | 0.05 | 0.05 | 118 | 0.34 | 0.04 | | |
| ○mkl_dft_def_ownscDftInv_Prime8_32fc | libmkl_def.so.2 | 0.31 | 0.31 | 0.20 | 0.20 | 0.05 | 0.05 | 64 | 0.27 | 0.03 | Math (%): 100.00 | |
| ►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 | 116 | 0.31 | 0.04 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 18600 - bonded.cpp:1151-1177 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.29 | 0.26 | 0.17 | 0.15 | 0.05 | 0.04 | 115 | 0.28 | 0.03 | | |
| ○Loop 18601 - bonded.cpp:1157-1177 - libgromacs_mpi.so.9.0.0 | | 0.03 | 0.03 | 0.03 | 0.03 | 0.01 | 0.01 | 83 | 0.04 | 0.01 | | |
| ○impi_shm_heap_progress | libmpi.so.12.0.0 | 0.28 | 0.28 | 0.34 | 0.34 | 0.05 | 0.05 | 48 | 0.51 | 0.08 | MPI (%): 100.00 | |
| ○(anonymous namespace)::dih_angle_simd(float const (*) [3], int const*, int const*, int const*, int const*, float const*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*,... | libgromacs_mpi.so.9.0.0 | 0.28 | 0.28 | 0.17 | 0.17 | 0.05 | 0.05 | 118 | 0.30 | 0.04 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○I_MPI_memcpy_multipage_sse | libmpi.so.12.0.0 | 0.28 | 0.28 | 0.61 | 0.61 | 0.05 | 0.05 | 32 | 1.09 | 0.18 | MPI (%): 100.00 | |
| ○exp | libm.so.6 | 0.26 | 0.26 | 0.24 | 0.24 | 0.04 | 0.04 | 48 | 0.25 | 0.04 | Math (%): 100.00 | |
| ►solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+ | libgromacs_mpi.so.9.0.0 | 0.26 | 0.00 | 0.20 | 0.00 | 0.04 | 0.00 | 64 | 0.21 | 0.02 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 19053 - pme_solve.cpp:233-560 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.26 | 0.04 | 0.30 | 0.07 | 0.04 | 0.01 | 64 | 0.08 | 0.01 | | |
| ○Loop 19054 - pme_solve.cpp:498-510 - libgromacs_mpi.so.9.0.0 | | 0.05 | 0.05 | 0.04 | 0.04 | 0.01 | 0.01 | 63 | 0.08 | 0.01 | | |
| ○Loop 19058 - pme_solve.cpp:472-474 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 11 | 0.00 | 0.00 | | |
| ○Loop 19056 - pme_solve.cpp:485-495 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 12 | 0.01 | 0.00 | | |
| ○Loop 19057 - 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 19063 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.0 [...] | | 0.07 | 0.07 | 0.05 | 0.05 | 0.01 | 0.01 | 64 | 0.09 | 0.01 | | |
| ○Loop 19062 - pme_solve.cpp:554-560 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 42 | 0.03 | 0.00 | | |
| ○Loop 19052 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 23 | 0.01 | 0.00 | | |
| ○Loop 19066 - pme_solve.cpp:521-530 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 19067 - pme_solve.cpp:521-530 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 25 | 0.03 | 0.00 | | |
| ○Loop 19065 - pme_solve.cpp:533-542 - libgromacs_mpi.so.9.0.0 | | 0.02 | 0.02 | 0.03 | 0.03 | 0.00 | 0.00 | 52 | 0.04 | 0.01 | | |
| ○Loop 19060 - pme_solve.cpp:440-453 - libgromacs_mpi.so.9.0.0 | | 0.02 | 0.02 | 0.03 | 0.03 | 0.00 | 0.00 | 49 | 0.05 | 0.01 | | |
| ○Loop 19055 - 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 19061 - 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 19064 - pme_solve.cpp:533-542 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 19059 - pme_solve.cpp:456-469 - libgromacs_mpi.so.9.0.0 | | 0.02 | 0.02 | 0.04 | 0.04 | 0.00 | 0.00 | 53 | 0.04 | 0.01 | | |
| ►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 | 0.24 | 0.00 | 0.13 | 0.01 | 0.04 | 0.00 | 120 | 0.27 | 0.03 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 18614 - bonded.cpp:2022-2124 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.24 | 0.18 | 0.15 | 0.10 | 0.04 | 0.03 | 117 | 0.20 | 0.03 | | |
| ○Loop 18615 - bonded.cpp:2072-2095 - libgromacs_mpi.so.9.0.0 | | 0.07 | 0.07 | 0.05 | 0.05 | 0.01 | 0.01 | 105 | 0.08 | 0.01 | | |
| ○mkl_dft_def_ownscDftFwd_Prime8_32fc | libmkl_def.so.2 | 0.23 | 0.23 | 0.13 | 0.13 | 0.04 | 0.04 | 64 | 0.18 | 0.02 | Math (%): 100.00 | |
| ►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 | 0.23 | 0.00 | 0.14 | 0.01 | 0.04 | 0.00 | 119 | 0.25 | 0.03 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 18782 - pairs.cpp:873-935 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 18778 - pairs.cpp:616-828 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 18777 - pairs.cpp:616-834 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 18776 - pairs.cpp:616-834 - libgromacs_mpi.so.9.0.0 [...] | | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 60 | 0.03 | 0.00 | | |
| ►Loop 18780 - pairs.cpp:873-903 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.20 | 0.16 | 0.14 | 0.10 | 0.03 | 0.03 | 114 | 0.18 | 0.02 | | |
| ○Loop 18781 - pairs.cpp:879-903 - libgromacs_mpi.so.9.0.0 [...] | | 0.05 | 0.05 | 0.04 | 0.04 | 0.01 | 0.01 | 94 | 0.06 | 0.01 | | |
| ○Loop 18779 - pairs.cpp:616-828 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.2]+ | libgromacs_mpi.so.9.0.0 | 0.20 | 0.00 | 0.16 | 0.01 | 0.03 | 0.00 | 64 | 0.22 | 0.03 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 19098 - stl_algobase.h:238-262 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.20 | 0.00 | 0.23 | 0.00 | 0.03 | 0.00 | 3 | 0.01 | 0.00 | | |
| ►Loop 19099 - pme_spread.cpp:538-1011 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.20 | 0.00 | 0.23 | 0.00 | 0.03 | 0.00 | 3 | 0.01 | 0.00 | | |
| ►Loop 19100 - pme_spread.cpp:556-1010 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.20 | 0.00 | 0.22 | 0.00 | 0.03 | 0.00 | 1 | 0.00 | 0.00 | | |
| ►Loop 19101 - pme_spread.cpp:574-1010 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.20 | 0.00 | 0.22 | 0.01 | 0.03 | 0.00 | 19 | 0.02 | 0.00 | | |
| ►Loop 19109 - pme_spread.cpp:577-1010 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.06 | 0.00 | 0.07 | 0.01 | 0.01 | 0.00 | 14 | 0.02 | 0.00 | | |
| ►Loop 19108 - pme_spread.cpp:635-1010 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.06 | 0.06 | 0.06 | 0.05 | 0.01 | 0.01 | 61 | 0.08 | 0.01 | | |
| ○Loop 19111 - pme_spread.cpp:639-641 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 20 | 0.01 | 0.00 | | |
| ○Loop 19110 - 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 19103 - pme_spread.cpp:666-702 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.13 | 0.00 | 0.14 | 0.01 | 0.02 | 0.00 | 14 | 0.01 | 0.00 | | |
| ►Loop 19102 - pme_spread.cpp:683-702 - libgromacs_mpi.so.9.0.0+ | | 0.13 | 0.10 | 0.13 | 0.07 | 0.02 | 0.02 | 64 | 0.12 | 0.02 | | |
| ○Loop 19105 - pme_spread.cpp:693-695 - libgromacs_mpi.so.9.0.0 | | 0.03 | 0.03 | 0.04 | 0.04 | 0.00 | 0.00 | 53 | 0.07 | 0.01 | | |
| ○Loop 19107 - pme_spread.cpp:700-702 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 17 | 0.02 | 0.00 | | |
| ○Loop 19104 - 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 19106 - 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 | | |
| ○mkl_dft_def_ownscDftInv_Fact4_32fc | libmkl_def.so.2 | 0.19 | 0.19 | 0.16 | 0.16 | 0.03 | 0.03 | 64 | 0.22 | 0.02 | Math (%): 100.00 | |
| ►nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone ._omp_fn.0]+ | libgromacs_mpi.so.9.0.0 | 0.18 | 0.00 | 0.07 | 0.01 | 0.03 | 0.00 | 128 | 0.11 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 4084 - atomdata.cpp:1017-1187 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.18 | 0.00 | 0.10 | 0.00 | 0.03 | 0.00 | 1 | 0.00 | 0.00 | | |
| ○Loop 4086 - atomdata.cpp:1017-1187 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 4085 - atomdata.cpp:1017-1187 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.18 | 0.05 | 0.09 | 0.03 | 0.03 | 0.01 | 108 | 0.05 | 0.01 | | |
| ►Loop 4089 - atomdata.cpp:1083-1086 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 0.02 | 0.00 | | |
| ○Loop 4090 - atomdata.cpp:1086-1086 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 4091 - atomdata.cpp:1171-1175 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 4088 - atomdata.cpp:1070-1073 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.13 | 0.13 | 0.05 | 0.05 | 0.02 | 0.02 | 127 | 0.08 | 0.01 | | |
| ○Loop 4087 - atomdata.cpp:1073-1073 - 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_ownscDftFwd_Fact3_32fc | libmkl_def.so.2 | 0.18 | 0.18 | 0.10 | 0.10 | 0.03 | 0.03 | 64 | 0.15 | 0.02 | Math (%): 100.00 | |
| ○MPIDI_SHMI_progress | libmpi.so.12.0.0 | 0.18 | 0.18 | 0.22 | 0.22 | 0.03 | 0.03 | 48 | 0.34 | 0.06 | MPI (%): 100.00 | |
| ►reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone ._omp_fn.0]+ | libgromacs_mpi.so.9.0.0 | 0.17 | 0.00 | 0.08 | 0.01 | 0.03 | 0.00 | 128 | 0.10 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 4092 - atomdata.cpp:1113-1257 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.17 | 0.00 | 0.08 | 0.01 | 0.03 | 0.00 | 21 | 0.01 | 0.00 | | |
| ○Loop 4094 - atomdata.cpp:1137-1143 - libgromacs_mpi.so.9.0.0 [...] | | 0.16 | 0.16 | 0.07 | 0.07 | 0.03 | 0.03 | 128 | 0.10 | 0.01 | | |
| ○Loop 4093 - 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 4095 - 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_ownscDftInv_Fact3_32fc | libmkl_def.so.2 | 0.15 | 0.15 | 0.10 | 0.10 | 0.03 | 0.03 | 64 | 0.16 | 0.02 | Math (%): 100.00 | |
| ►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 | 0.37 | 0.01 | 0.02 | 0.00 | 16 | 0.43 | 0.07 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 19036 - stl_vector.h:990-1936 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.15 | 0.00 | 0.39 | 0.00 | 0.02 | 0.00 | 3 | 0.00 | 0.00 | | |
| ○Loop 19040 - pme_redistribute.cpp:372-398 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 19039 - stl_vector.h:1126-1126 - libgromacs_mpi.so.9.0.0 [...] | | 0.15 | 0.15 | 0.37 | 0.37 | 0.02 | 0.02 | 16 | 0.43 | 0.07 | | |
| ○Loop 19037 - stl_vector.h:1123-1126 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 19041 - 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 19042 - 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 19038 - pme_redistribute.cpp:372-398 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.02 | 0.00 | | |
| ►Loop 19043 - 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 19044 - 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 | | |
| ►pme_calc_pidx_wrapper(gmx::ArrayRef<gmx::BasicVector<float> const>, float const (*) [3], PmeAtomComm*) [clone ._omp_fn.0]+ | libgromacs_mpi.so.9.0.0 | 0.14 | 0.00 | 0.10 | 0.01 | 0.02 | 0.00 | 64 | 0.16 | 0.02 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 19024 - pme_redistribute.cpp:81-134 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.13 | 0.00 | 0.11 | 0.00 | 0.02 | 0.00 | 2 | 0.01 | 0.00 | | |
| ○Loop 19026 - pme_redistribute.cpp:96-103 - libgromacs_mpi.so.9.0.0 | | 0.13 | 0.13 | 0.10 | 0.10 | 0.02 | 0.02 | 64 | 0.16 | 0.02 | | |
| ○Loop 19025 - 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 | | |
| ►copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+ | libgromacs_mpi.so.9.0.0 | 0.13 | 0.00 | 0.09 | 0.01 | 0.02 | 0.00 | 64 | 0.15 | 0.02 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 18956 - pme_grid.cpp:395-419 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.13 | 0.04 | 0.11 | 0.03 | 0.02 | 0.01 | 62 | 0.06 | 0.01 | | |
| ○Loop 18957 - pme_grid.cpp:402-404 - libgromacs_mpi.so.9.0.0 | | 0.10 | 0.10 | 0.07 | 0.07 | 0.02 | 0.02 | 64 | 0.13 | 0.02 | | |
| ○Loop 18955 - 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 | | |
| ○mkl_dft_def_owns_cRadix4FwdNorm_32fc | libmkl_def.so.2 | 0.13 | 0.13 | 0.08 | 0.08 | 0.02 | 0.02 | 64 | 0.13 | 0.02 | Math (%): 100.00 | |
| ○__memset_avx512_unaligned_erms | libc.so.6 | 0.12 | 0.12 | 0.10 | 0.10 | 0.02 | 0.02 | 111 | 0.17 | 0.02 | Memory (%): 100.00 | |
| ►void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...+ | libgromacs_mpi.so.9.0.0 | 0.11 | 0.00 | 0.09 | 0.01 | 0.02 | 0.00 | 119 | 0.13 | 0.02 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 6799 - threaded_force_buffer.cpp:178-182 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 6794 - threaded_force_buffer.cpp:178-211 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.11 | 0.02 | 0.11 | 0.02 | 0.02 | 0.00 | 57 | 0.03 | 0.00 | | |
| ○Loop 6796 - vec.h:141-145 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 6798 - threaded_force_buffer.cpp:207-211 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.08 | 0.08 | 0.08 | 0.08 | 0.01 | 0.01 | 106 | 0.11 | 0.01 | | |
| ○Loop 6797 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 6793 - threaded_force_buffer.cpp:182-186 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 43 | 0.02 | 0.00 | | |
| ○Loop 6795 - 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 | | |
| ►nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const (*) [3], nbnxn_atomdata_t*) [clone ._omp_fn.0]+ | libgromacs_mpi.so.9.0.0 | 0.11 | 0.00 | 0.05 | 0.01 | 0.02 | 0.00 | 127 | 0.08 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 4112 - atomdata.cpp:965-978 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.11 | 0.00 | 0.07 | 0.00 | 0.02 | 0.00 | 1 | 0.00 | 0.00 | | |
| ►Loop 4111 - grid.h:233-266 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.10 | 0.01 | 0.06 | 0.01 | 0.02 | 0.00 | 26 | 0.01 | 0.00 | | |
| ○Loop 4113 - grid.h:262-266 - libgromacs_mpi.so.9.0.0 [...] | | 0.10 | 0.10 | 0.05 | 0.05 | 0.02 | 0.02 | 127 | 0.08 | 0.01 | | |
| ►dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef<gmx::BasicVector<float> >, bool)+ | libgromacs_mpi.so.9.0.0 | 0.11 | 0.00 | 0.23 | 0.01 | 0.02 | 0.00 | 16 | 0.23 | 0.04 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 19029 - pme_redistribute.cpp:261-430 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
| ○Loop 19028 - pme_redistribute.cpp:455-468 - libgromacs_mpi.so.9.0.0 [...] | | 0.10 | 0.10 | 0.23 | 0.23 | 0.02 | 0.02 | 16 | 0.23 | 0.04 | | |
| ○Loop 19027 - 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 | | |
| ►clearRVecs(gmx::ArrayRef<gmx::BasicVector<float> >, bool) [clone ._omp_fn.0]+ | libgromacs_mpi.so.9.0.0 | 0.11 | 0.00 | 0.05 | 0.01 | 0.02 | 0.00 | 123 | 0.09 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 17042 - vec.h:292-292 - libgromacs_mpi.so.9.0.0 | | 0.10 | 0.10 | 0.05 | 0.05 | 0.02 | 0.02 | 123 | 0.09 | 0.01 | | |
| ►dd_move_f(gmx_domdec_t*, gmx::ForceWithShiftForces*, gmx_wallcycle*)+ | libgromacs_mpi.so.9.0.0 | 0.10 | 0.00 | 0.12 | 0.01 | 0.02 | 0.00 | 32 | 0.13 | 0.02 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 5742 - wallcycle.h:399-401 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.10 | 0.00 | 0.16 | 0.00 | 0.02 | 0.00 | 1 | 0.00 | 0.00 | | |
| ○Loop 5741 - domdec.cpp:367-460 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 5 | 0.00 | 0.00 | | |
| ►Loop 5743 - stl_vector.h:990-1258 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.10 | 0.00 | 0.14 | 0.01 | 0.02 | 0.00 | 9 | 0.00 | 0.00 | | |
| ○Loop 5745 - domdec.cpp:415-419 - libgromacs_mpi.so.9.0.0 [...] | | 0.09 | 0.09 | 0.12 | 0.12 | 0.02 | 0.02 | 32 | 0.12 | 0.02 | | |
| ○Loop 5748 - domdec.cpp:426-435 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 8 | 0.03 | 0.01 | | |
| ○Loop 5746 - 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 5749 - 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 5750 - 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 5747 - domdec.cpp:442-447 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5744 - domdec_internal.h:348-369 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0.00 | 0.00 | | |
| ○mkl_dft_def_ownscDftFwd_Fact4_32fc | libmkl_def.so.2 | 0.10 | 0.10 | 0.10 | 0.10 | 0.02 | 0.02 | 64 | 0.12 | 0.01 | Math (%): 100.00 | |
| ○mkl_dft_def_owns_cRadix4InvNorm_32fc | libmkl_def.so.2 | 0.10 | 0.10 | 0.07 | 0.07 | 0.02 | 0.02 | 64 | 0.12 | 0.01 | Math (%): 100.00 | |
| ○MPID_Progress_completion_count_get | libmpi.so.12.0.0 | 0.09 | 0.09 | 0.12 | 0.12 | 0.01 | 0.01 | 48 | 0.18 | 0.03 | MPI (%): 100.00 | |
| ►gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) [clone ._omp_fn.0]+ | libgromacs_mpi.so.9.0.0 | 0.08 | 0.00 | 0.07 | 0.01 | 0.01 | 0.00 | 123 | 0.08 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 17129 - update.cpp:1706-1706 - libgromacs_mpi.so.9.0.0 | | 0.08 | 0.08 | 0.06 | 0.06 | 0.01 | 0.01 | 121 | 0.08 | 0.01 | | |
| ○constrained_atom_sigma2(float, AtomNonbondedAndKineticProperties const&, float*, float*) | libgromacs_mpi.so.9.0.0 | 0.08 | 0.08 | 0.09 | 0.09 | 0.01 | 0.01 | 48 | 0.10 | 0.02 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►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 | 0.05 | 0.01 | 0.01 | 0.00 | 105 | 0.10 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 5960 - ga2la.h:112-114 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.07 | 0.03 | 0.08 | 0.03 | 0.01 | 0.01 | 84 | 0.05 | 0.01 | | |
| ○Loop 5962 - localtopology.cpp:506-537 - libgromacs_mpi.so.9.0.0 [...] | | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 61 | 0.03 | 0.00 | | |
| ○Loop 5961 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 44 | 0.03 | 0.00 | | |
| ○Loop 5963 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 14 | 0.02 | 0.00 | | |
| ○mkl_dft_def_owns_cRealRecombine_32f | libmkl_def.so.2 | 0.07 | 0.07 | 0.05 | 0.05 | 0.01 | 0.01 | 63 | 0.09 | 0.01 | Math (%): 100.00 | |
| ○atanf | libm.so.6 | 0.07 | 0.07 | 0.06 | 0.06 | 0.01 | 0.01 | 103 | 0.10 | 0.01 | Math (%): 100.00 | |
| ►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 | 0.00 | 0.01 | 0.00 | 32 | 0.14 | 0.02 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 5861 - domdec_specatomcomm.cpp:195-358 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.07 | 0.00 | 0.16 | 0.00 | 0.01 | 0.00 | 3 | 0.00 | 0.00 | | |
| ○Loop 5863 - 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 5865 - 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 5867 - 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 | | |
| ►Loop 5860 - domdec_specatomcomm.cpp:224-315 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5864 - 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 5868 - domdec_specatomcomm.cpp:279-291 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.02 | 0.00 | 0.07 | 0.01 | 0.00 | 0.00 | 13 | 0.01 | 0.00 | | |
| ○Loop 5870 - 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 5872 - domdec_specatomcomm.cpp:285-287 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.00 | 26 | 0.05 | 0.01 | | |
| ○Loop 5871 - domdec_specatomcomm.cpp:285-287 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.00 | 23 | 0.04 | 0.01 | | |
| ○Loop 5869 - 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 5866 - domdec_specatomcomm.cpp:304-304 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 5873 - domdec_specatomcomm.cpp:202-305 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.04 | 0.00 | 0.09 | 0.00 | 0.01 | 0.00 | 7 | 0.00 | 0.00 | | |
| ►Loop 5874 - domdec_specatomcomm.cpp:222-305 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
| ○Loop 5876 - domdec_specatomcomm.cpp:238-241 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 12 | 0.04 | 0.01 | | |
| ○Loop 5875 - 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 5878 - domdec_specatomcomm.cpp:229-232 - libgromacs_mpi.so.9.0.0 | | 0.04 | 0.04 | 0.06 | 0.06 | 0.01 | 0.01 | 31 | 0.11 | 0.02 | | |
| ○Loop 5877 - domdec_specatomcomm.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 5862 - 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 | | |
| ►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 | 0.18 | 0.00 | 0.01 | 0.00 | 16 | 0.18 | 0.03 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 19135 - pme_spread.cpp:799-878 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.07 | 0.00 | 0.19 | 0.00 | 0.01 | 0.00 | 1 | 0.00 | 0.00 | | |
| ►Loop 19134 - pme_spread.cpp:799-878 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.07 | 0.01 | 0.18 | 0.04 | 0.01 | 0.00 | 16 | 0.06 | 0.01 | | |
| ○Loop 19136 - pme_spread.cpp:876-878 - libgromacs_mpi.so.9.0.0 | | 0.05 | 0.05 | 0.14 | 0.14 | 0.01 | 0.01 | 16 | 0.15 | 0.02 | | |
| ○Loop 19133 - 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 19137 - pme_spread.cpp:755-870 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 19144 - pme_spread.cpp:755-870 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 19143 - pme_spread.cpp:795-870 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 19142 - 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 19145 - 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 19140 - pme_spread.cpp:793-818 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 19139 - 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 19141 - 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 19138 - 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 | | |
| ○mkl_dft_def_ownscDftFwd_Fact5_32fc | libmkl_def.so.2 | 0.07 | 0.07 | 0.06 | 0.06 | 0.01 | 0.01 | 63 | 0.11 | 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 | 0.06 | 0.00 | 0.09 | 0.01 | 0.01 | 0.00 | 32 | 0.12 | 0.02 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 5734 - domdec.cpp:271-351 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.06 | 0.00 | 0.14 | 0.00 | 0.01 | 0.00 | 1 | 0.00 | 0.00 | | |
| ►Loop 5735 - domdec_internal.h:348-369 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.06 | 0.00 | 0.13 | 0.02 | 0.01 | 0.00 | 8 | 0.03 | 0.01 | | |
| ○Loop 5738 - domdec.cpp:289-291 - libgromacs_mpi.so.9.0.0 | | 0.05 | 0.05 | 0.06 | 0.06 | 0.01 | 0.01 | 31 | 0.10 | 0.02 | | |
| ○Loop 5740 - domdec.cpp:297-302 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.05 | 0.05 | 0.00 | 0.00 | 11 | 0.10 | 0.02 | | |
| ○Loop 5739 - 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 5736 - 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 5737 - 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 | | |
| ○unknown_function | libgromacs_mpi.so.9.0.0 | 0.06 | 0.00 | 0.04 | 0.00 | 0.01 | 0.00 | 133 | 0.05 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | |
| ►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 | 0.06 | 0.00 | 0.04 | 0.00 | 0.01 | 0.00 | 93 | 0.07 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 18639 - bonded.cpp:444-1084 - libgromacs_mpi.so.9.0.0 [...] | | 0.06 | 0.06 | 0.04 | 0.04 | 0.01 | 0.01 | 93 | 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) [clone .isra.0] | libgromacs_mpi.so.9.0.0 | 0.06 | 0.06 | 0.05 | 0.05 | 0.01 | 0.01 | 94 | 0.08 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►gmx_pme_receive_f(gmx::PmePpCommGpu*, t_commrec const*, gmx::ForceWithVirial*, float*, float*, float*, float*, bool, bool, float*) [clone ._omp_fn.0]+ | libgromacs_mpi.so.9.0.0 | 0.06 | 0.01 | 0.04 | 0.01 | 0.01 | 0.00 | 108 | 0.07 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 19020 - vectypes.h:122-146 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 19021 - vectypes.h:136-146 - libgromacs_mpi.so.9.0.0 [...] | | 0.05 | 0.05 | 0.03 | 0.03 | 0.01 | 0.01 | 101 | 0.06 | 0.01 | | |
| ○mkl_dft_def_ownsrDftInvRecombine_32f | libmkl_def.so.2 | 0.06 | 0.06 | 0.07 | 0.07 | 0.01 | 0.01 | 60 | 0.09 | 0.01 | Math (%): 100.00 | |
| ○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 | 92 | 0.08 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►void get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)+ | libgromacs_mpi.so.9.0.0 | 0.05 | 0.03 | 0.03 | 0.02 | 0.01 | 0.01 | 115 | 0.05 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 5131 - pairlist.cpp:291-295 - libgromacs_mpi.so.9.0.0 | | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 64 | 0.02 | 0.00 | | |
| ○Loop 5132 - pairlist.cpp:283-286 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 26 | 0.01 | 0.00 | | |
| ○mkl_dft_def_owns_cCcsRecombine_32f | libmkl_def.so.2 | 0.05 | 0.05 | 0.04 | 0.04 | 0.01 | 0.01 | 63 | 0.07 | 0.01 | Math (%): 100.00 | |
| ○mkl_dft_def_ownscDftInv_Fact5_32fc | libmkl_def.so.2 | 0.05 | 0.05 | 0.04 | 0.04 | 0.01 | 0.01 | 63 | 0.09 | 0.01 | Math (%): 100.00 | |
| ○gomp_team_barrier_wait_final | libgomp.so.1.0.0 | 0.05 | 0.05 | 0.02 | 0.02 | 0.01 | 0.01 | 136 | 0.04 | 0.01 | OMP (%): 100.00 | |
| ►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_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 7085 - pbc.cpp:911-921 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 7086 - pbc.cpp:911-921 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 7091 - pbc.cpp:1001-1018 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 7092 - pbc.cpp:1001-1018 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 7089 - pbc.cpp:1001-1018 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 7090 - pbc.cpp:1001-1018 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 7087 - pbc.cpp:1001-1018 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 7088 - pbc.cpp:1001-1018 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○evaluate_single(float, float, float const*, float, float, float, float, float*, float*) | libgromacs_mpi.so.9.0.0 | 0.05 | 0.05 | 0.04 | 0.04 | 0.01 | 0.01 | 92 | 0.06 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○mkl_dft_def_ownscDftFwd_Prime4_32fc | libmkl_def.so.2 | 0.05 | 0.05 | 0.05 | 0.05 | 0.01 | 0.01 | 64 | 0.08 | 0.01 | Math (%): 100.00 | |
| ○mkl_dft_def_ownscDftInv_Prime4_32fc | libmkl_def.so.2 | 0.05 | 0.05 | 0.05 | 0.05 | 0.01 | 0.01 | 62 | 0.08 | 0.01 | Math (%): 100.00 | |
| ○gomp_barrier_wait | libgomp.so.1.0.0 | 0.05 | 0.05 | 0.04 | 0.04 | 0.01 | 0.01 | 112 | 0.05 | 0.01 | OMP (%): 100.00 | |
| ○mkl_dft_def_ownsrDftFwdRecombine_32f | libmkl_def.so.2 | 0.05 | 0.05 | 0.04 | 0.04 | 0.01 | 0.01 | 63 | 0.07 | 0.01 | Math (%): 100.00 | |
| ►void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 16, float const*, true, true>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, float (*) [3], bool*)+ | libgromacs_mpi.so.9.0.0 | 0.05 | 0.00 | 0.04 | 0.01 | 0.01 | 0.00 | 102 | 0.05 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 17000 - settle.cpp:425-676 - libgromacs_mpi.so.9.0.0 [...] | | 0.04 | 0.04 | 0.03 | 0.03 | 0.01 | 0.01 | 102 | 0.05 | 0.01 | | |
| ►do_update_md(int, int, float, long, float const (*) [3], float (*) [3], float (*) [3], float const (*) [3], TemperatureCoupling, PressureCoupling, int, int, gmx::ArrayRef<unsigned short const>, AccelerationType, gmx::ArrayRef<unsigned short const&...+ | libgromacs_mpi.so.9.0.0 | 0.05 | 0.00 | 0.04 | 0.01 | 0.01 | 0.00 | 102 | 0.05 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 17152 - matrix.h:163-163 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 17162 - 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 17149 - avx512fintrin.h:431-13377 - libgromacs_mpi.so.9.0.0 [...] | | 0.03 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 90 | 0.04 | 0.00 | | |
| ○Loop 17155 - 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 17151 - matrix.h:163-163 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 17148 - 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 17156 - 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 17161 - 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 17158 - update.cpp:379-405 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 38 | 0.01 | 0.00 | | |
| ○Loop 17150 - matrix.h:163-163 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 17163 - 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 17154 - 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 17157 - 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 17153 - matrix.h:163-163 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 17164 - matrix.h:163-163 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 17159 - avx512fintrin.h:431-13377 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 17160 - 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 17165 - matrix.h:163-163 - 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 | 0.04 | 0.00 | 0.05 | 0.01 | 0.01 | 0.00 | 91 | 0.07 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 6813 - stl_algobase.h:918-919 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 8 | 0.00 | 0.00 | | |
| ○Loop 6812 - threaded_force_buffer.cpp:90-94 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 6814 - threaded_force_buffer.cpp:78-81 - libgromacs_mpi.so.9.0.0 [...] | | 0.04 | 0.04 | 0.05 | 0.05 | 0.01 | 0.01 | 86 | 0.07 | 0.01 | | |
| ○gomp_thread_start | libgomp.so.1.0.0 | 0.04 | 0.04 | 0.03 | 0.03 | 0.01 | 0.01 | 111 | 0.04 | 0.00 | OMP (%): 100.00 | |
| ►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 | 0.04 | 0.00 | 0.03 | 0.00 | 0.01 | 0.00 | 107 | 0.05 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 5978 - stl_vector.h:990-1936 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.04 | 0.01 | 0.05 | 0.01 | 0.01 | 0.00 | 40 | 0.01 | 0.00 | | |
| ►Loop 5979 - 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 5980 - 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 5981 - hashedmap.h:274-282 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.03 | 0.02 | 0.04 | 0.02 | 0.01 | 0.00 | 59 | 0.02 | 0.00 | | |
| ○Loop 5982 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 70 | 0.03 | 0.00 | | |
| ○I_MPI_memcpy_sse | libmpi.so.12.0.0 | 0.04 | 0.04 | 0.06 | 0.06 | 0.01 | 0.01 | 43 | 0.10 | 0.02 | MPI (%): 100.00 | |
| ○mkl_dft_def_ownscDftFwd_PrimeFact_32fc | libmkl_def.so.2 | 0.04 | 0.04 | 0.04 | 0.04 | 0.01 | 0.01 | 60 | 0.07 | 0.01 | Math (%): 100.00 | |
| ○__acosf_finite | libm.so.6 | 0.04 | 0.04 | 0.04 | 0.04 | 0.01 | 0.01 | 84 | 0.06 | 0.01 | Math (%): 100.00 | |
| ►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone ._omp_fn.0]+ | libgromacs_mpi.so.9.0.0 | 0.04 | 0.00 | 0.03 | 0.00 | 0.01 | 0.00 | 104 | 0.04 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 16820 - mdatoms.cpp:276-438 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.04 | 0.04 | 0.03 | 0.03 | 0.01 | 0.01 | 104 | 0.04 | 0.01 | | |
| ○Loop 16821 - mtop_lookup.h:91-106 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 4 | 0.01 | 0.00 | | |
| ○gomp_team_barrier_wait | libgomp.so.1.0.0 | 0.04 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 119 | 0.04 | 0.00 | OMP (%): 100.00 | |
| ○bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*) | libgromacs_mpi.so.9.0.0 | 0.04 | 0.04 | 0.04 | 0.04 | 0.01 | 0.01 | 88 | 0.05 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○MPIDIG_send_origin_cb | libmpi.so.12.0.0 | 0.04 | 0.04 | 0.06 | 0.06 | 0.01 | 0.01 | 46 | 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 | 60 | 0.06 | 0.01 | Math (%): 100.00 | |
| ►setup_dd_communication(gmx_domdec_t*, float (*) [3], gmx_ddbox_t*, t_forcerec*, t_state*) [clone ._omp_fn.0]+ | libgromacs_mpi.so.9.0.0 | 0.03 | 0.00 | 0.03 | 0.00 | 0.01 | 0.00 | 98 | 0.04 | 0.00 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 6075 - partition.cpp:1435-2046 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.03 | 0.00 | 0.03 | 0.00 | 0.01 | 0.00 | 1 | 0.00 | 0.00 | | |
| ►Loop 6077 - partition.cpp:1435-2024 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.03 | 0.03 | 0.03 | 0.03 | 0.01 | 0.01 | 98 | 0.04 | 0.00 | | |
| ○Loop 6087 - 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 6080 - 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 6088 - 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 6079 - 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 6085 - 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 6078 - 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 6082 - 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 6083 - 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 6081 - ga2la.h:112-126 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 6090 - 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 6086 - 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 6084 - 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 6089 - 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 6076 - new_allocator.h:187-187 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►void get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)+ | libgromacs_mpi.so.9.0.0 | 0.03 | 0.02 | 0.02 | 0.02 | 0.01 | 0.00 | 94 | 0.04 | 0.00 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 5133 - pairlist.cpp:291-295 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 42 | 0.02 | 0.00 | | |
| ○Loop 5134 - pairlist.cpp:283-286 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 18 | 0.02 | 0.00 | | |
| ○.plt.sec@start | libm.so.6 | 0.03 | 0.03 | 0.04 | 0.04 | 0.01 | 0.01 | 47 | 0.05 | 0.01 | Math (%): 100.00 | |
| ►void calc_ke_part_normal<false>(float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, float const (*) [3], t_grpopts const*, t_mdatoms const*, gmx_ekindata_t*, t_nrnb*...+ | libgromacs_mpi.so.9.0.0 | 0.03 | 0.00 | 0.02 | 0.00 | 0.01 | 0.00 | 93 | 0.04 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 16754 - md_support.cpp:147-219 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.03 | 0.00 | 0.03 | 0.00 | 0.01 | 0.00 | 1 | 0.00 | 0.00 | | |
| ○Loop 16755 - 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 16756 - md_support.cpp:181-219 - libgromacs_mpi.so.9.0.0 [...] | | 0.03 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 93 | 0.04 | 0.01 | | |
| ○Loop 16757 - md_support.cpp:166-166 - 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)::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 | 0.04 | 0.01 | 0.01 | 0.00 | 74 | 0.05 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 18650 - bonded.cpp:1912-2010 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.03 | 0.01 | 0.04 | 0.01 | 0.01 | 0.00 | 35 | 0.01 | 0.00 | | |
| ○Loop 18651 - bonded.cpp:1913-2008 - libgromacs_mpi.so.9.0.0 [...] | | 0.02 | 0.02 | 0.03 | 0.03 | 0.00 | 0.00 | 64 | 0.04 | 0.01 | | |
| ○gomp_team_start | libgomp.so.1.0.0 | 0.03 | 0.03 | 0.05 | 0.05 | 0.01 | 0.01 | 43 | 0.06 | 0.01 | OMP (%): 100.00 | |
| ►Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) [clone .constprop.2] [clone .isra.0]+ | libgromacs_mpi.so.9.0.0 | 0.03 | 0.00 | 0.02 | 0.01 | 0.00 | 0.00 | 78 | 0.03 | 0.00 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 4251 - grid.cpp:416-421 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 54 | 0.03 | 0.00 | | |
| ►Loop 4252 - grid.cpp:330-408 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.01 | 0.02 | 0.01 | 0.00 | 0.00 | 29 | 0.02 | 0.00 | | |
| ○Loop 4253 - grid.cpp:386-390 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 0.00 | 0.00 | | |
| ○Loop 4254 - grid.cpp:398-401 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
| ○MPIDIG_send_target_msg_cb | libmpi.so.12.0.0 | 0.02 | 0.02 | 0.05 | 0.05 | 0.00 | 0.00 | 38 | 0.08 | 0.01 | MPI (%): 100.00 | |
| ○__atan2f_finite | libm.so.6 | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 68 | 0.03 | 0.00 | Math (%): 100.00 | |
| ○gomp_sem_wait_slow | libgomp.so.1.0.0 | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 48 | 0.02 | 0.00 | OMP (%): 100.00 | |
| ○MPIDIG_progress_compl_list | libmpi.so.12.0.0 | 0.02 | 0.02 | 0.05 | 0.05 | 0.00 | 0.00 | 33 | 0.08 | 0.01 | MPI (%): 100.00 | |
| ►unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone ._omp_fn.1]+ | libgromacs_mpi.so.9.0.0 | 0.02 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 55 | 0.04 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 18930 - pme_grid.cpp:529-539 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.02 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 18929 - pme_grid.cpp:529-539 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 52 | 0.04 | 0.01 | | |
| ○Loop 18928 - 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 18931 - 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 | | |
| ►sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone ._omp_fn.0]+ | libgromacs_mpi.so.9.0.0 | 0.02 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 70 | 0.03 | 0.00 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 17043 - vec.h:141-147 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 17044 - vec.h:141-145 - libgromacs_mpi.so.9.0.0 | | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 69 | 0.03 | 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 | 0.02 | 0.00 | 0.05 | 0.00 | 0.00 | 0.00 | 36 | 0.09 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 18616 - bonded.cpp:2179-2254 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.02 | 0.01 | 0.06 | 0.03 | 0.00 | 0.00 | 30 | 0.06 | 0.01 | | |
| ○Loop 18617 - bonded.cpp:2185-2213 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 24 | 0.04 | 0.01 | | |
| ►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 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 74 | 0.03 | 0.00 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 4243 - 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 4241 - grid.cpp:634-634 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 4237 - grid.cpp:505-505 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 4242 - 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 | | |
| ○Loop 4240 - grid.cpp:599-599 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 4239 - grid.cpp:477-477 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 4244 - grid.cpp:818-868 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 33 | 0.02 | 0.00 | | |
| ○Loop 4245 - grid.cpp:825-836 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 4238 - grid.cpp:532-532 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○DftiComputeForward | libmkl_intel_lp64.so.2 | 0.02 | 0.02 | 0.03 | 0.03 | 0.00 | 0.00 | 51 | 0.04 | 0.01 | Math (%): 100.00 | |
| ○DftiComputeBackward | libmkl_intel_lp64.so.2 | 0.02 | 0.02 | 0.03 | 0.03 | 0.00 | 0.00 | 53 | 0.05 | 0.01 | Math (%): 100.00 | |
| ○__I_MPI___intel_avx_rep_memcpy | libmpifort.so.12.0.0 | 0.02 | 0.02 | 0.04 | 0.04 | 0.00 | 0.00 | 27 | 0.08 | 0.01 | MPI (%): 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 | 0.02 | 0.00 | 0.04 | 0.00 | 0.00 | 0.00 | 31 | 0.05 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 4153 - atomdata.cpp:745-780 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 4160 - atomdata.cpp:748-780 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 10 | 0.01 | 0.00 | | |
| ○Loop 4162 - 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 4163 - atomdata.cpp:772-774 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0.00 | 0.00 | | |
| ○Loop 4161 - 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 4164 - atomdata.cpp:124-687 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 4165 - atomdata.cpp:124-687 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.02 | 0.01 | 0.00 | 0.00 | 14 | 0.01 | 0.00 | | |
| ○Loop 4166 - atomdata.cpp:130-132 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 4167 - atomdata.cpp:125-127 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 6 | 0.00 | 0.00 | | |
| ►Loop 4148 - atomdata.cpp:656-728 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 4149 - atomdata.cpp:656-728 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 5 | 0.00 | 0.00 | | |
| ○Loop 4150 - atomdata.cpp:656-662 - libgromacs_mpi.so.9.0.0 | | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 23 | 0.03 | 0.01 | | |
| ○Loop 4151 - 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 4152 - 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 4154 - 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 4155 - grid.h:236-295 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 4156 - 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 4144 - atomdata.cpp:656-889 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 4145 - atomdata.cpp:656-889 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 4146 - 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 4147 - 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 4157 - 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 4158 - 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 4159 - 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 | | |
| ►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 | 62 | 0.02 | 0.00 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 16148 - 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 | | |
| ○Loop 16149 - calcvir.cpp:61-67 - libgromacs_mpi.so.9.0.0 [...] | | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 61 | 0.02 | 0.00 | | |
| ○MPIDI_GPU_request_free | libmpi.so.12.0.0 | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.00 | 32 | 0.05 | 0.01 | MPI (%): 100.00 | |
| ○cDftFwd_Fact7_4a | libmkl_def.so.2 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 43 | 0.04 | 0.00 | Math (%): 100.00 | |
| ►clearDDStateIndices(gmx_domdec_t*, bool)+ | libgromacs_mpi.so.9.0.0 | 0.01 | 0.00 | 0.03 | 0.00 | 0.00 | 0.00 | 31 | 0.05 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○Loop 6091 - 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 6093 - 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 6096 - stl_vector.h:1126-1126 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 6092 - hashedmap.h:104-106 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 6094 - ga2la.h:99-99 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.04 | 0.01 | 0.00 | 0.00 | 7 | 0.01 | 0.00 | | |
| ○Loop 6095 - hashedmap.h:232-255 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.00 | 29 | 0.04 | 0.01 | | |
| ○mkl_dft_def_ownscDftInv_Prime16_32fc | libmkl_def.so.2 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 42 | 0.04 | 0.01 | Math (%): 100.00 | |
| ►dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>) [clone ._omp_fn.0]+ | libgromacs_mpi.so.9.0.0 | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 47 | 0.03 | 0.00 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 5807 - arrayref.h:78-260 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.04 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 0.00 | | |
| ►Loop 5808 - idef.h:232-235 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.01 | 0.04 | 0.01 | 0.00 | 0.00 | 30 | 0.02 | 0.00 | | |
| ►Loop 5810 - ga2la.h:112-126 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 3 | 0.00 | 0.00 | | |
| ○Loop 5811 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 4 | 0.00 | 0.00 | | |
| ►Loop 5809 - ga2la.h:112-126 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 13 | 0.01 | 0.00 | | |
| ○Loop 5812 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 12 | 0.00 | 0.00 | | |
| ○Loop 5813 - mtop_lookup.h:93-106 - 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_CCSToR_32f | libmkl_def.so.2 | 0.01 | 0.01 | 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 | 0.01 | 0.01 | 0.00 | 0.00 | 44 | 0.03 | 0.00 | Math (%): 100.00 | |
| ►rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone ._omp_fn.0]+ | libgromacs_mpi.so.9.0.0 | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 52 | 0.02 | 0.00 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 5152 - pairlist.cpp:3724-3832 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 5153 - pairlist.cpp:3724-3827 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 13 | 0.00 | 0.00 | | |
| ○Loop 5154 - pairlist.cpp:3733-3733 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 39 | 0.02 | 0.00 | | |
| ○Loop 5155 - pairlist.cpp:3733-3744 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0.00 | 0.00 | | |
| ○Loop 5157 - pairlist.cpp:2996-2998 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5156 - pairlist.cpp:2996-2998 - libgromacs_mpi.so.9.0.0 | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○gomp_init_task | libgomp.so.1.0.0 | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.00 | 36 | 0.03 | 0.01 | OMP (%): 100.00 | |
| ○mkl_dft_def_ippsDFTFwd_RToCCS_32f | libmkl_def.so.2 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 41 | 0.03 | 0.00 | Math (%): 100.00 | |
| ►calcBondedForces(InteractionDefinitions const&, bonded_threading_t*, float const (*) [3], t_forcerec const*, t_pbc const*, float (*) [3], gmx_enerdata_t*, t_nrnb*, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float con...+ | libgromacs_mpi.so.9.0.0 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 50 | 0.02 | 0.00 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 18705 - listed_forces.cpp:204-451 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 3 | 0.01 | 0.00 | | |
| ○Loop 18707 - listed_forces.cpp:204-451 - libgromacs_mpi.so.9.0.0 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 29 | 0.01 | 0.00 | | |
| ○Loop 18706 - listed_forces.cpp:204-451 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 8 | 0.01 | 0.00 | | |
| ○compute_1d_small_bwd | libmkl_def.so.2 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 40 | 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 | 31 | 0.03 | 0.00 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 5879 - domdec_specatomcomm.cpp:595-599 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5880 - 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 5884 - domdec_specatomcomm.cpp:410-585 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.06 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 5885 - hashedmap.h:144-204 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0.00 | 0.00 | | |
| ○Loop 5887 - 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 | | |
| ○Loop 5886 - stl_vector.h:1126-1126 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 5883 - stl_bvector.h:96-1580 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.05 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5888 - 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 5893 - ga2la.h:112-126 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.02 | 0.01 | 0.00 | 0.00 | 6 | 0.01 | 0.00 | | |
| ○Loop 5894 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 4 | 0.00 | 0.00 | | |
| ○Loop 5895 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 15 | 0.01 | 0.00 | | |
| ○Loop 5896 - stl_bvector.h:96-300 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5889 - stl_bvector.h:105-1050 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0.00 | 0.00 | | |
| ○Loop 5897 - stl_bvector.h:96-411 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 5890 - ga2la.h:112-126 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 4 | 0.00 | 0.00 | | |
| ○Loop 5892 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 13 | 0.02 | 0.00 | | |
| ○Loop 5891 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0.00 | 0.00 | | |
| ►Loop 5881 - domdec_specatomcomm.cpp:582-585 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5882 - 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 5899 - domdec_specatomcomm.cpp:389-628 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 5898 - stl_vector.h:990-1936 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○MPI_Waitall | libmpi.so.12.0.0 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 33 | 0.02 | 0.00 | MPI (%): 100.00 | |
| ○mkl_dft_def_ippsDFTFwd_CToC_32fc | libmkl_def.so.2 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 38 | 0.03 | 0.00 | Math (%): 100.00 | |
| ○atan2f | libm.so.6 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 41 | 0.02 | 0.00 | Math (%): 100.00 | |
| ○cDftInv_Fact7_4a | libmkl_def.so.2 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 35 | 0.03 | 0.00 | Math (%): 100.00 | |
| ○gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.9.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 38 | 0.03 | 0.00 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ○MPIR_Sendrecv_impl | libmpi.so.12.0.0 | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.00 | 32 | 0.03 | 0.01 | MPI (%): 100.00 | |
| ►make_dd_indices(gmx_domdec_t*, int)+ | libgromacs_mpi.so.9.0.0 | 0.01 | 0.00 | 0.03 | 0.00 | 0.00 | 0.00 | 25 | 0.04 | 0.01 | /home/eoseret/gromacs-2024.2/install_gcc/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00 | GNU C++17 13.2.0 -march=skylake-avx512 -g -O3 -std=c++17 -fno-omit-frame-pointer -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp |
| ►Loop 6097 - partition.cpp:515-540 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.00 | 0.03 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 6098 - new_allocator.h:187-187 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ○Loop 6099 - 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 | | |
| ○Loop 6100 - stl_vector.h:1126-1126 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | | |
| ►Loop 6101 - new_allocator.h:187-187 - libgromacs_mpi.so.9.0.0 [...]+ | | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.00 | 25 | 0.04 | 0.01 | | |
| ○Loop 6102 - 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 | | |
| ○Loop 6103 - stl_vector.h:1126-1126 - libgromacs_mpi.so.9.0.0 [...] | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0.00 | | |
| ○compute_1d_small_bwd | libmkl_def.so.2 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 38 | 0.02 | 0.00 | Math (%): 100.00 | |
