Name | Module | Coverage 1x1 (%) | Max Time Over Threads 1x1 (s) | Time w.r.t. Wall Time 1x1 (s) | Nb Threads 1x1 | Deviation (coverage) 1x1 | Deviation (walltime) 1x1 | Categories 1x1 | GFLOPS 1x1 | Compilation Options |
►nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)+ | libgromacs_mpi.so.7 | 60.79 | 191.72 | 191.72 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 47.53 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 1014 - stl_iterator.h:806-887 - libgromacs_mpi.so.7 [...]+ | | 1.25 | 3.95 | 3.95 | 1 | 0.00 | 0.00 | | 47.91 | |
○Loop 1019 - kernel_outer.h:590-590 - libgromacs_mpi.so.7 [...] | | 39.17 | 123.54 | 123.54 | 1 | 0.00 | 0.00 | | 48.25 | |
○Loop 1017 - kernel_outer.h:608-608 - libgromacs_mpi.so.7 [...] | | 15.63 | 49.3 | 49.3 | 1 | 0.00 | 0.00 | | 46.33 | |
○Loop 1020 - kernel_outer.h:584-587 - libgromacs_mpi.so.7 [...] | | 1.87 | 5.88 | 5.88 | 1 | 0.00 | 0.00 | | 47.89 | |
○Loop 1018 - kernel_outer.h:602-605 - libgromacs_mpi.so.7 [...] | | 1.66 | 5.23 | 5.23 | 1 | 0.00 | 0.00 | | 46.86 | |
○Loop 1015 - kernel_outer.h:624-624 - libgromacs_mpi.so.7 [...] | | 1.08 | 3.4 | 3.4 | 1 | 0.00 | 0.00 | | 39.48 | |
○Loop 1016 - kernel_outer.h:618-621 - libgromacs_mpi.so.7 [...] | | 0.13 | 0.4 | 0.4 | 1 | 0.00 | 0.00 | | 42.89 | |
►nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)+ | libgromacs_mpi.so.7 | 9.92 | 31.27 | 31.27 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 47.56 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 1021 - stl_iterator.h:806-887 - libgromacs_mpi.so.7 [...]+ | | 0.15 | 0.48 | 0.48 | 1 | 0.00 | 0.00 | | 61.52 | |
○Loop 1026 - kernel_outer.h:590-590 - libgromacs_mpi.so.7 [...] | | 6.4 | 20.18 | 20.18 | 1 | 0.00 | 0.00 | | 47.91 | |
○Loop 1024 - kernel_outer.h:608-608 - libgromacs_mpi.so.7 [...] | | 2.61 | 8.23 | 8.23 | 1 | 0.00 | 0.00 | | 46.99 | |
○Loop 1027 - kernel_outer.h:584-587 - libgromacs_mpi.so.7 [...] | | 0.3 | 0.93 | 0.93 | 1 | 0.00 | 0.00 | | 47.17 | |
○Loop 1025 - kernel_outer.h:602-605 - libgromacs_mpi.so.7 [...] | | 0.29 | 0.9 | 0.9 | 1 | 0.00 | 0.00 | | 43.12 | |
○Loop 1022 - kernel_outer.h:624-624 - libgromacs_mpi.so.7 [...] | | 0.15 | 0.47 | 0.47 | 1 | 0.00 | 0.00 | | 39.85 | |
○Loop 1023 - kernel_outer.h:618-621 - libgromacs_mpi.so.7 [...] | | 0.02 | 0.07 | 0.07 | 1 | 0.00 | 0.00 | | 37.66 | |
►gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)+ | libgromacs_mpi.so.7 | 3.82 | 12.04 | 12.04 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 22.16 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 22650 - pme_gather.cpp:76-348 - libgromacs_mpi.so.7 [...]+ | | 1.33 | 4.18 | 4.18 | 1 | 0.00 | 0.00 | | 22.01 | |
○Loop 22649 - pme_gather.cpp:156-169 - libgromacs_mpi.so.7 [...] | | 2.49 | 7.86 | 7.86 | 1 | 0.00 | 0.00 | | 22.24 | |
►Loop 22652 - pme_gather.cpp:247-255 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22651 - pme_gather.cpp:253-255 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 22654 - pme_gather.cpp:103-124 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 22653 - pme_gather.cpp:109-124 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22658 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22656 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22657 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22655 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►_INTERNALef3c2910::make_bsplines(float**, float**, int, float (*) [3], int, int const*, float const*, bool)+ | libgromacs_mpi.so.7 | 2.08 | 6.57 | 6.57 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 7.66 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 23034 - pme_spread.cpp:275-292 - libgromacs_mpi.so.7 [...]+ | | 2.08 | 6.57 | 6.57 | 1 | 0.00 | 0.00 | | 7.66 | |
○Loop 23033 - pme_spread.cpp:291-291 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 23035 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23040 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23041 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23036 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23038 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23037 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 23042 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23043 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23044 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23039 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►_INTERNALef3c2910::spread_coefficients_bsplines_thread(pmegrid_t const*, PmeAtomComm const*, splinedata_t*, pme_spline_work*)+ | libgromacs_mpi.so.7 | 1.79 | 5.63 | 5.64 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 12.83 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 23046 - pme_spread.cpp:331-400 - libgromacs_mpi.so.7 [...]+ | | 1.79 | 5.63 | 5.64 | 1 | 0.00 | 0.00 | | 12.83 | |
►Loop 23048 - pme_spread.cpp:332-400 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 23047 - pme_spread.cpp:332-400 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23052 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23050 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23051 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23049 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23045 - pme_simd4.h:138-140 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23053 - pme_spread.cpp:351-353 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23054 - pme_spread.cpp:351-353 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►_INTERNAL661916bb::gmx::lincs_matrix_expand(_INTERNAL661916bb::gmx::Lincs const&, _INTERNAL661916bb::gmx::Task const&, _INTERNAL661916bb::gmx::ArrayRef<float const>, _INTERNAL661916bb::gmx::ArrayRef<float>, _INTERNAL661916bb::gmx::Array...+ | libgromacs_mpi.so.7 | 1.63 | 5.15 | 5.15 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 1.84 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 19720 - lincs.cpp:320-340 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 19721 - lincs.cpp:322-340 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 19724 - lincs.cpp:332-336 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 19723 - lincs.cpp:332-336 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 19722 - lincs.cpp:332-336 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 19725 - lincs.cpp:270-287 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 19726 - lincs.cpp:276-287 - libgromacs_mpi.so.7+ | | 0.65 | 2.04 | 2.04 | 1 | 0.00 | 0.00 | | 1.80 | |
○Loop 19727 - lincs.cpp:282-284 - libgromacs_mpi.so.7 | | 0.98 | 3.1 | 3.1 | 1 | 0.00 | 0.00 | | 1.87 | |
○Loop 19729 - lincs.cpp:282-284 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 19728 - lincs.cpp:282-284 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+ | libgromacs_mpi.so.7 | 1.17 | 3.68 | 3.68 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 39.35 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 1497 - kernel_prune.cpp:76-176 - libgromacs_mpi.so.7 [...]+ | | 0.04 | 0.12 | 0.12 | 1 | 0.00 | 0.00 | | 30.28 | |
○Loop 1498 - kernel_prune.cpp:115-169 - libgromacs_mpi.so.7 [...] | | 1.13 | 3.56 | 3.56 | 1 | 0.00 | 0.00 | | 39.66 | |
○fftwf_codelet_n1fv_16_sse2 | libfftw3f.so.3.5.5 | 0.91 | 2.86 | 2.86 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 5.36 | |
○fftwf_codelet_hc2cfdftv_2_sse2 | libfftw3f.so.3.5.5 | 0.86 | 2.72 | 2.72 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 4.28 | |
►_INTERNALb629d8fd::makeClusterListSimd4xn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)+ | libgromacs_mpi.so.7 | 0.69 | 2.16 | 2.16 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 5.03 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 3305 - pairlist_simd_4xm.h:136-195 - libgromacs_mpi.so.7 [...] | | 0.42 | 1.31 | 1.31 | 1 | 0.00 | 0.00 | | 5.27 | |
○Loop 3304 - pairlist_simd_4xm.h:204-262 - libgromacs_mpi.so.7 [...] | | 0.13 | 0.4 | 0.4 | 1 | 0.00 | 0.00 | | 4.77 | |
○Loop 3303 - pairlist_simd_4xm.h:268-273 - libgromacs_mpi.so.7 [...] | | 0.04 | 0.13 | 0.13 | 1 | 0.00 | 0.00 | | 4.94 | |
○fftwf_codelet_hc2cbdftv_2_sse2 | libfftw3f.so.3.5.5 | 0.68 | 2.14 | 2.14 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 6.35 | |
○fftwf_codelet_n1bv_16_sse2 | libfftw3f.so.3.5.5 | 0.6 | 1.89 | 1.89 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 6.39 | |
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL72b35b0f::(anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...+ | libgromacs_mpi.so.7 | 0.59 | 1.84 | 1.84 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 12.40 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 22146 - bonded.cpp:1151-1255 - libgromacs_mpi.so.7 [...] | | 0.59 | 1.84 | 1.84 | 1 | 0.00 | 0.00 | | 12.40 | |
○_INTERNAL72b35b0f::(anonymous namespace)::dih_angle_simd(float const (*) [3], int const*, int const*, int const*, int const*, float const*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat... | libgromacs_mpi.so.7 | 0.59 | 1.85 | 1.85 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 23.04 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►void _INTERNALb629d8fd::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...+ | libgromacs_mpi.so.7 | 0.58 | 1.81 | 1.81 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 5.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 3286 - pairlist.cpp:2891-2893 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 3285 - pairlist.cpp:1954-3518 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 3274 - pairlist.cpp:1954-3514 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 3273 - pairlist.cpp:1954-3512 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
►Loop 3275 - pairlist.cpp:1954-3507 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 8.75 | |
○Loop 3276 - pairlist.cpp:3181-3267 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | | 4.50 | |
►Loop 3277 - new_allocator.h:101-136 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 1.13 | |
►Loop 3278 - pairlist.cpp:1954-3507 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 24.13 | |
►Loop 3279 - pairlist.cpp:2966-3474 - libgromacs_mpi.so.7 [...]+ | | 0.02 | 0.07 | 0.07 | 1 | 0.00 | 0.00 | | 3.64 | |
►Loop 3280 - pairlist.cpp:2966-3474 - libgromacs_mpi.so.7 [...]+ | | 0.2 | 0.62 | 0.62 | 1 | 0.00 | 0.00 | | 4.81 | |
○Loop 3281 - pairlist.cpp:3407-3411 - libgromacs_mpi.so.7 | | 0.28 | 0.87 | 0.87 | 1 | 0.00 | 0.00 | | 5.20 | |
○Loop 3282 - pairlist.cpp:3392-3396 - libgromacs_mpi.so.7 | | 0.06 | 0.17 | 0.17 | 1 | 0.00 | 0.00 | | 4.88 | |
○Loop 3284 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 3283 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 3272 - pairlist.cpp:258-3133 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 3287 - pairlist.cpp:2891-2893 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 3271 - pairlist.cpp:3053-3053 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○fftwf_codelet_n1fv_11_avx | libfftw3f.so.3.5.5 | 0.57 | 1.8 | 1.8 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 7.13 | |
►solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+ | libgromacs_mpi.so.7 | 0.57 | 1.8 | 1.8 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 30.02 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 22904 - pme_solve.cpp:98-561 - libgromacs_mpi.so.7 [...]+ | | 0.04 | 0.12 | 0.12 | 1 | 0.00 | 0.00 | | 64.83 | |
○Loop 22906 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7 | | 0.1 | 0.3 | 0.3 | 1 | 0.00 | 0.00 | | 31.98 | |
○Loop 22910 - pme_solve.cpp:234-238 - libgromacs_mpi.so.7 [...] | | 0.08 | 0.24 | 0.24 | 1 | 0.00 | 0.00 | | 42.89 | |
○Loop 22912 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7 | | 0.08 | 0.24 | 0.24 | 1 | 0.00 | 0.00 | | 22.25 | |
○Loop 22932 - pme_solve.cpp:457-470 - libgromacs_mpi.so.7 | | 0.07 | 0.23 | 0.23 | 1 | 0.00 | 0.00 | | 15.24 | |
○Loop 22933 - pme_solve.cpp:441-454 - libgromacs_mpi.so.7 | | 0.07 | 0.23 | 0.23 | 1 | 0.00 | 0.00 | | 33.30 | |
○Loop 22916 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7 | | 0.07 | 0.23 | 0.23 | 1 | 0.00 | 0.00 | | 28.79 | |
○Loop 22920 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7 | | 0.03 | 0.1 | 0.1 | 1 | 0.00 | 0.00 | | 26.10 | |
○Loop 22923 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7 | | 0.02 | 0.06 | 0.06 | 1 | 0.00 | 0.00 | | 6.00 | |
○Loop 22918 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22907 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22911 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22927 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22917 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22909 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22929 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22914 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22922 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22905 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22921 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22928 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22915 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22931 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22930 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7 | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 6.75 | |
○Loop 22908 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22926 - pme_solve.cpp:234-238 - libgromacs_mpi.so.7 [...] | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 20.88 | |
○Loop 22913 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22925 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22919 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22924 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►_INTERNALef3c2910::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int)+ | libgromacs_mpi.so.7 | 0.53 | 1.68 | 1.68 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 5.50 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 23013 - pme_spread.cpp:104-133 - libgromacs_mpi.so.7 [...] | | 0.53 | 1.68 | 1.68 | 1 | 0.00 | 0.00 | | 5.50 | |
○Loop 23014 - pme_spread.cpp:96-98 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23005 - pme_spread.cpp:172-174 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23012 - pme_spread.cpp:154-156 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23008 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23006 - pme_spread.cpp:165-167 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23004 - pme_spread.cpp:104-145 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23011 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23010 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23007 - vector.tcc:589-589 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 23009 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○fftwf_cpy2d | libfftw3f.so.3.5.5 | 0.53 | 1.67 | 1.67 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 5.00 | |
►void _INTERNAL251c4d10::do_pairs_simple<gmx::SimdFloat, 8, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float>, float)+ | libgromacs_mpi.so.7 | 0.51 | 1.61 | 1.61 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 6.66 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 22435 - pairs.cpp:863-894 - libgromacs_mpi.so.7 [...] | | 0.51 | 1.61 | 1.61 | 1 | 0.00 | 0.00 | | 6.66 | |
○fftwf_codelet_t2fv_4_avx | libfftw3f.so.3.5.5 | 0.49 | 1.55 | 1.55 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 13.77 | |
○fftwf_codelet_t2bv_4_avx | libfftw3f.so.3.5.5 | 0.48 | 1.52 | 1.52 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 11.17 | |
○fftwf_codelet_n1bv_11_avx | libfftw3f.so.3.5.5 | 0.47 | 1.48 | 1.48 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 7.16 | |
►void _INTERNALa35aedc8::gmx::settleTemplate<_INTERNALa35aedc8::gmx::SimdFloat, _INTERNALa35aedc8::gmx::SimdFBool, 8, float const*, true, false>(_INTERNALa35aedc8::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*...+ | libgromacs_mpi.so.7 | 0.47 | 1.49 | 1.49 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 15.48 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 20236 - settle.cpp:423-649 - libgromacs_mpi.so.7 [...] | | 0.47 | 1.49 | 1.49 | 1 | 0.00 | 0.00 | | 15.48 | |
►__intel_avx_rep_memcpy+ | gmx_mpi | 0.41 | 1.28 | 1.28 | 1 | 0.00 | 0.00 | Memory (%): 100.00 | 0.00 | |
○Loop 73 - - gmx_mpi | | 0.14 | 0.46 | 0.45 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 72 - - gmx_mpi | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
►pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*)+ | libgromacs_mpi.so.7 | 0.4 | 1.26 | 1.26 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 2.29 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 6252 - pbc.cpp:989-1006 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 6251 - pbc.cpp:899-909 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○_INTERNAL7abe0478::gmx::SimdFloat _INTERNAL7abe0478::gmx::__regcall3__exp<(MathOptimization)0>(_INTERNAL7abe0478::gmx::SimdFloat) | libgromacs_mpi.so.7 | 0.37 | 1.15 | 1.15 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 32.60 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►_INTERNAL661916bb::gmx::do_lincs(_INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> const>, _INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> >, float const (*...+ | libgromacs_mpi.so.7 | 0.37 | 1.18 | 1.18 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 3.39 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 19718 - lincs.cpp:1085-1089 - libgromacs_mpi.so.7 [...]+ | | 0.1 | 0.32 | 0.32 | 1 | 0.00 | 0.00 | | 3.02 | |
○Loop 19719 - lincs.cpp:1087-1089 - libgromacs_mpi.so.7 [...] | | 0.24 | 0.76 | 0.76 | 1 | 0.00 | 0.00 | | 2.59 | |
○Loop 19710 - lincs.cpp:1215-1223 - libgromacs_mpi.so.7 [...] | | 0.02 | 0.05 | 0.05 | 1 | 0.00 | 0.00 | | 7.50 | |
○Loop 19714 - lincs.cpp:1193-1195 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 19713 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 19711 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 19715 - lincs.cpp:1123-1173 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 19716 - lincs.cpp:1155-1155 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | | 27.63 | |
○Loop 19712 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 19717 - lincs.cpp:1098-1098 - libgromacs_mpi.so.7 [...] | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 11.25 | |
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL72b35b0f::(anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc con...+ | libgromacs_mpi.so.7 | 0.36 | 1.15 | 1.15 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 13.96 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 22155 - bonded.cpp:2059-2126 - libgromacs_mpi.so.7 [...] | | 0.36 | 1.15 | 1.15 | 1 | 0.00 | 0.00 | | 13.96 | |
►_INTERNAL661916bb::gmx::lincs_update_atoms_noind(int, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::AtomPair const>, float, _INTERNAL661916bb::gmx::ArrayRef<float const>, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::Ba...+ | libgromacs_mpi.so.7 | 0.36 | 1.13 | 1.13 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 6.43 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 19732 - lincs.cpp:368-383 - libgromacs_mpi.so.7 | | 0.36 | 1.13 | 1.13 | 1 | 0.00 | 0.00 | | 6.43 | |
○Loop 19731 - lincs.cpp:388-401 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○fftwf_codelet_n2fv_10_avx | libfftw3f.so.3.5.5 | 0.28 | 0.89 | 0.89 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 13.20 | |
►__intel_avx_rep_memset+ | gmx_mpi | 0.27 | 0.85 | 0.85 | 1 | 0.00 | 0.00 | Memory (%): 100.00 | 0.00 | |
○Loop 74 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►_INTERNAL661916bb::gmx::__regcall3__calc_dr_x_xp_simd(int, int, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::AtomPair const>, float const (*) [3], float const (*) [3], float const*, float const*, float const*, float (*) [3], float*, floa...+ | libgromacs_mpi.so.7 | 0.26 | 0.83 | 0.83 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 9.66 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 19735 - lincs.cpp:798-828 - libgromacs_mpi.so.7 [...] | | 0.26 | 0.83 | 0.83 | 1 | 0.00 | 0.00 | | 9.66 | |
○void _INTERNALa35aedc8::gmx::__regcall3__gatherLoadUTranspose<3>(float const*, int const*, _INTERNALa35aedc8::gmx::SimdFloat*, _INTERNALa35aedc8::gmx::SimdFloat*, _INTERNALa35aedc8::gmx::SimdFloat*) | libgromacs_mpi.so.7 | 0.25 | 0.78 | 0.78 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 15.60 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○fftwf_codelet_n2bv_10_avx | libfftw3f.so.3.5.5 | 0.25 | 0.8 | 0.8 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 13.86 | |
○_INTERNAL72b35b0f::(anonymous namespace)::__regcall3__do_dih_fup_noshiftf_simd(int const*, int const*, int const*, int const*, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, f... | libgromacs_mpi.so.7 | 0.24 | 0.76 | 0.76 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 9.89 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►float _INTERNAL251c4d10::do_pairs_general<(BondedKernelFlavor)2>(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gm...+ | libgromacs_mpi.so.7 | 0.23 | 0.71 | 0.71 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 2.03 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 22430 - pairs.cpp:125-824 - libgromacs_mpi.so.7 [...] | | 0.23 | 0.71 | 0.71 | 1 | 0.00 | 0.00 | | 2.03 | |
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNAL72b35b0f::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3],...+ | libgromacs_mpi.so.7 | 0.2 | 0.62 | 0.62 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 2.86 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 22218 - bonded.cpp:129-2011 - libgromacs_mpi.so.7 [...]+ | | 0.18 | 0.58 | 0.58 | 1 | 0.00 | 0.00 | | 2.89 | |
○Loop 22219 - bonded.cpp:1914-2008 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.04 | 0.04 | 1 | 0.00 | 0.00 | | 2.47 | |
►_INTERNALcfff3329::energyDrift(gmx::ArrayRef<VerletbufAtomtype const>, gmx_ffparams_t const*, float, pot_derivatives_t const*, pot_derivatives_t const*, pot_derivatives_t const*, float, float, float, float)+ | libgromacs_mpi.so.7 | 0.19 | 0.6 | 0.6 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 2.53 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 18871 - calc_verletbuf.cpp:530-721 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 18872 - calc_verletbuf.cpp:530-721 - libgromacs_mpi.so.7 [...] | | 0.19 | 0.6 | 0.6 | 1 | 0.00 | 0.00 | | 2.53 | |
►_INTERNAL95fec573::nbnxn_atomdata_add_nbat_f_to_f_part(Nbnxm::GridSet const&, nbnxn_atomdata_t const&, nbnxn_atomdata_output_t const&, int, int, float (*) [3])+ | libgromacs_mpi.so.7 | 0.18 | 0.57 | 0.57 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.95 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 2245 - atomdata.cpp:1173-1179 - libgromacs_mpi.so.7 [...] | | 0.18 | 0.57 | 0.57 | 1 | 0.00 | 0.00 | | 0.95 | |
○Loop 2246 - atomdata.cpp:1163-1169 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2243 - atomdata.cpp:1182-1182 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2244 - atomdata.cpp:1153-1159 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)+ | libgromacs_mpi.so.7 | 0.17 | 0.53 | 0.53 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 2237 - atomdata.cpp:226-236 - libgromacs_mpi.so.7 | | 0.15 | 0.49 | 0.48 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 2232 - atomdata.cpp:180-184 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2231 - atomdata.cpp:180-184 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2234 - atomdata.cpp:172-182 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2228 - atomdata.cpp:154-158 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2233 - atomdata.cpp:172-176 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2238 - atomdata.cpp:207-217 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2240 - atomdata.cpp:193-203 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2225 - atomdata.cpp:161-165 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2227 - atomdata.cpp:161-165 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2230 - atomdata.cpp:180-184 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2229 - atomdata.cpp:154-163 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2226 - atomdata.cpp:161-163 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2239 - atomdata.cpp:193-203 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2224 - atomdata.cpp:256-256 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2236 - atomdata.cpp:226-236 - libgromacs_mpi.so.7 | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 2235 - atomdata.cpp:240-250 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►std::enable_if<std::is_same<float [3], float [3]>::value||std::is_same<float [3], float const [3]>::value, void>::type _INTERNALf921b9f2::updateMDLeapfrogSimpleSimd<(StoreUpdatedVelocities)0, float [3]>(int, int, float, gmx::ArrayRe...+ | libgromacs_mpi.so.7 | 0.17 | 0.55 | 0.55 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 13.72 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 20503 - update.cpp:481-481 - libgromacs_mpi.so.7 [...] | | 0.17 | 0.55 | 0.55 | 1 | 0.00 | 0.00 | | 13.72 | |
○dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*) | libgromacs_mpi.so.7 | 0.16 | 0.5 | 0.5 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 2.09 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○fftwf_mkplan_hc2c | libfftw3f.so.3.5.5 | 0.15 | 0.47 | 0.47 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 5.49 | |
►clearForceBuffer(nbnxn_atomdata_t*, int)+ | libgromacs_mpi.so.7 | 0.13 | 0.42 | 0.42 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 2753 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...] | | 0.13 | 0.42 | 0.42 | 1 | 0.00 | 0.00 | | 0.00 | |
►_INTERNAL14e05f89::setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*)+ | libgromacs_mpi.so.7 | 0.13 | 0.4 | 0.4 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 20300 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...] | | 0.12 | 0.38 | 0.38 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 20298 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 20299 - iterator_interface.hpp:166-459 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+ | libgromacs_mpi.so.7 | 0.13 | 0.42 | 0.42 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 5945 - threaded_force_buffer.cpp:78-80 - libgromacs_mpi.so.7 [...]+ | | 0.02 | 0.07 | 0.07 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 5944 - stl_algobase.h:695-695 - libgromacs_mpi.so.7 | | 0.11 | 0.34 | 0.34 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 5941 - stl_algobase.h:695-696 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 5938 - threaded_force_buffer.cpp:97-97 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 5937 - threaded_force_buffer.cpp:90-94 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 5940 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 5942 - stl_algobase.h:695-696 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 5943 - stl_algobase.h:684-685 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 5939 - threaded_force_buffer.cpp:97-97 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►L__ZN17_INTERNALd56b7fc33gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_134+ | libgromacs_mpi.so.7 | 0.13 | 0.41 | 0.42 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 1.60 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 5821 - threaded_force_buffer.cpp:171-211 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 2.63 | |
○Loop 5823 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.7 [...] | | 0.11 | 0.36 | 0.36 | 1 | 0.00 | 0.00 | | 1.68 | |
○Loop 5822 - threaded_force_buffer.cpp:182-187 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.04 | 0.04 | 1 | 0.00 | 0.00 | | 1.03 | |
►Loop 5824 - threaded_force_buffer.cpp:207-211 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 5825 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►L__ZN3gmx6Update4Impl13finish_updateERK10t_inputrecbiNS_8ArrayRefIKtEEP7t_stateP13gmx_wallcycleb_1637__par_region0_2_160+ | libgromacs_mpi.so.7 | 0.11 | 0.35 | 0.35 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 20506 - update.cpp:1637-1641 - libgromacs_mpi.so.7 [...] | | 0.11 | 0.35 | 0.35 | 1 | 0.00 | 0.00 | | 0.00 | |
○__libm_atan2f_l9 | libgromacs_mpi.so.7 | 0.1 | 0.31 | 0.31 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 1.94 | |
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNAL72b35b0f::(anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...+ | libgromacs_mpi.so.7 | 0.1 | 0.31 | 0.31 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 2.37 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 22209 - bonded.cpp:445-1084 - libgromacs_mpi.so.7 [...] | | 0.1 | 0.31 | 0.31 | 1 | 0.00 | 0.00 | | 2.37 | |
○Unknown function | Unknown module | 0.1 | 0.3 | 0.3 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 17.31 | |
►L__ZN17_INTERNAL7742301e19calc_ke_part_normalEN3gmx8ArrayRefIKNS0_11BasicVectorIfEEEEPK9t_grpoptsPK9t_mdatomsP14gmx_ekindata_tP6t_nrnbb_113__par_region0_2_15+ | libgromacs_mpi.so.7 | 0.1 | 0.32 | 0.32 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 8.22 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 19830 - md_support.cpp:114-157 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 19831 - md_support.cpp:139-157 - libgromacs_mpi.so.7 [...] | | 0.1 | 0.32 | 0.32 | 1 | 0.00 | 0.00 | | 8.22 | |
○Loop 19832 - md_support.cpp:132-132 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○__libm_sse2_sincosf | libgromacs_mpi.so.7 | 0.1 | 0.31 | 0.31 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 1.81 | |
►_INTERNAL661916bb::gmx::__regcall3__calc_dist_iter_simd(int, int, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::AtomPair const>, float const (*) [3], float const*, float const*, float const*, float, float*, float*, bool*)+ | libgromacs_mpi.so.7 | 0.1 | 0.33 | 0.33 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 14.48 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 19730 - lincs.cpp:919-931 - libgromacs_mpi.so.7 [...] | | 0.1 | 0.33 | 0.33 | 1 | 0.00 | 0.00 | | 14.48 | |
►_INTERNALb629d8fd::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)+ | libgromacs_mpi.so.7 | 0.09 | 0.29 | 0.29 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 7.28 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 3314 - pairlist.cpp:607-1420 - libgromacs_mpi.so.7 [...]+ | | 0.02 | 0.07 | 0.08 | 1 | 0.00 | 0.00 | | 4.94 | |
►Loop 3315 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...]+ | | 0.05 | 0.14 | 0.14 | 1 | 0.00 | 0.00 | | 7.43 | |
○Loop 3316 - pairlist.cpp:607-1332 - libgromacs_mpi.so.7 [...] | | 0.02 | 0.06 | 0.06 | 1 | 0.00 | 0.00 | | 8.31 | |
○Loop 3317 - pairlist.cpp:1252-1255 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○void _INTERNAL72b35b0f::gmx::__regcall3__transposeScatterIncrU<4>(float*, int const*, _INTERNAL72b35b0f::gmx::SimdFloat, _INTERNAL72b35b0f::gmx::SimdFloat, _INTERNAL72b35b0f::gmx::SimdFloat) | libgromacs_mpi.so.7 | 0.09 | 0.29 | 0.29 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 10.40 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○fftwf_mkplan_dftw | libfftw3f.so.3.5.5 | 0.07 | 0.23 | 0.23 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 7.90 | |
○fftwf_rdft2_buffered_register | libfftw3f.so.3.5.5 | 0.07 | 0.23 | 0.23 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 7.24 | |
○_INTERNALa35aedc8::__regcall3__pbc_dx_aiuc(float const*, gmx::SimdFloat const*, gmx::SimdFloat const*, gmx::SimdFloat*) | libgromacs_mpi.so.7 | 0.07 | 0.21 | 0.21 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 4.42 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*) | libgromacs_mpi.so.7 | 0.07 | 0.23 | 0.23 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 2.76 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►void _INTERNALa35aedc8::gmx::settleTemplate<_INTERNALa35aedc8::gmx::SimdFloat, _INTERNALa35aedc8::gmx::SimdFBool, 8, float const*, true, true>(_INTERNALa35aedc8::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*,...+ | libgromacs_mpi.so.7 | 0.07 | 0.22 | 0.22 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 16.15 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 20235 - settle.cpp:423-674 - libgromacs_mpi.so.7 [...] | | 0.07 | 0.22 | 0.22 | 1 | 0.00 | 0.00 | | 16.15 | |
○fftwf_ct_genericbuf_register | libfftw3f.so.3.5.5 | 0.07 | 0.21 | 0.21 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 9.96 | |
►int _INTERNALd64f4cfb::assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float...+ | libgromacs_mpi.so.7 | 0.05 | 0.16 | 0.16 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 4523 - localtopology.cpp:416-576 - libgromacs_mpi.so.7 [...]+ | | 0.03 | 0.11 | 0.11 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 4526 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 4532 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4525 - vector.tcc:589-589 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4527 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4528 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4529 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 4530 - localtopology.cpp:505-513 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 4531 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4524 - idef.h:245-247 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○fftwf_codelet_r2cb_3 | libfftw3f.so.3.5.5 | 0.05 | 0.14 | 0.14 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 8.66 | |
○__libm_acosf_l9 | libgromacs_mpi.so.7 | 0.05 | 0.15 | 0.15 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 4.32 | |
►wrap_periodic_pmegrid(gmx_pme_t const*, float*)+ | libgromacs_mpi.so.7 | 0.05 | 0.15 | 0.15 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 1.98 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 22687 - pme_grid.cpp:465-471 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 22688 - pme_grid.cpp:467-471 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 22690 - pme_grid.cpp:467-471 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 22693 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7 | | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | | 3.31 | |
○Loop 22691 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 22694 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 22692 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 22689 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 22696 - pme_grid.cpp:449-455 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
►Loop 22697 - pme_grid.cpp:451-455 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
►Loop 22699 - pme_grid.cpp:451-455 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 22700 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 22702 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7 | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 8.50 | |
○Loop 22703 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 22701 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 22698 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 22695 - pme_grid.cpp:436-442 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 22704 - pme_grid.cpp:438-442 - libgromacs_mpi.so.7+ | | 0.02 | 0.07 | 0.08 | 1 | 0.00 | 0.00 | | 0.45 | |
○Loop 22705 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7 | | 0.01 | 0.04 | 0.04 | 1 | 0.00 | 0.00 | | 1.06 | |
►Loop 22706 - pme_grid.cpp:438-442 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 22708 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22710 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22707 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22709 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○__libm_erfcf_ex | libgromacs_mpi.so.7 | 0.05 | 0.15 | 0.15 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 3.10 | |
►_INTERNALb629d8fd::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)+ | libgromacs_mpi.so.7 | 0.05 | 0.17 | 0.17 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 8.44 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 3293 - pairlist.cpp:1991-1995 - libgromacs_mpi.so.7 | | 0.02 | 0.05 | 0.05 | 1 | 0.00 | 0.00 | | 6.85 | |
○Loop 3291 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.7 | | 0.01 | 0.03 | 0.03 | 1 | 0.00 | 0.00 | | 6.79 | |
○Loop 3294 - pairlist.cpp:1981-1985 - libgromacs_mpi.so.7 | | 0.01 | 0.03 | 0.03 | 1 | 0.00 | 0.00 | | 14.13 | |
○Loop 3295 - vector.tcc:589-589 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 3296 - stl_algobase.h:740-742 - libgromacs_mpi.so.7 | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 6.38 | |
○Loop 3297 - stl_algobase.h:740-742 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 3292 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○fftwf_dft_conf_standard | libfftw3f.so.3.5.5 | 0.04 | 0.13 | 0.13 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 7.77 | |
►_INTERNALf921b9f2::do_update_md(int, int, float, long, float const (*) [3], float (*) [3], float (*) [3], float const (*) [3], TemperatureCoupling, PressureCoupling, int, int, gmx::ArrayRef<unsigned short const>, bool, gmx::ArrayRef<unsigned short...+ | libgromacs_mpi.so.7 | 0.04 | 0.12 | 0.12 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 6.96 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 20455 - update.cpp:361-387 - libgromacs_mpi.so.7 [...] | | 0.04 | 0.12 | 0.12 | 1 | 0.00 | 0.00 | | 6.96 | |
○Loop 20457 - update.cpp:361-387 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 20456 - update.cpp:361-387 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 20458 - update.cpp:361-387 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○void _INTERNAL72b35b0f::gmx::__regcall3__transposeScatterDecrU<4>(float*, int const*, _INTERNAL72b35b0f::gmx::SimdFloat, _INTERNAL72b35b0f::gmx::SimdFloat, _INTERNAL72b35b0f::gmx::SimdFloat) | libgromacs_mpi.so.7 | 0.04 | 0.13 | 0.13 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 11.46 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○__libm_exp_l9 | libgromacs_mpi.so.7 | 0.04 | 0.14 | 0.14 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 3.25 | |
○__libm_expf_l9 | libgromacs_mpi.so.7 | 0.04 | 0.14 | 0.14 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 2.89 | |
○fftwf_codelet_r2cbIII_3 | libfftw3f.so.3.5.5 | 0.04 | 0.11 | 0.11 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 5.51 | |
►_INTERNALbed727ba::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)+ | libgromacs_mpi.so.7 | 0.03 | 0.08 | 0.08 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.02 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 2625 - grid.cpp:415-420 - libgromacs_mpi.so.7 | | 0.01 | 0.04 | 0.04 | 1 | 0.00 | 0.00 | | 0.00 | |
►Loop 2622 - grid.cpp:329-437 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.03 | 0.03 | 1 | 0.00 | 0.00 | | 0.04 | |
○Loop 2626 - grid.cpp:385-389 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 2627 - grid.cpp:397-402 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2624 - grid.cpp:426-431 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2623 - grid.cpp:437-437 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►void _INTERNALd64f4cfb::make_exclusions_zone<true>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> &g...+ | libgromacs_mpi.so.7 | 0.03 | 0.1 | 0.1 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 4498 - new_allocator.h:101-136 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 4496 - new_allocator.h:101-136 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 4495 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...]+ | | 0.02 | 0.07 | 0.07 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 4497 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 4499 - new_allocator.h:101-136 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 4489 - stl_vector.h:296-1660 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4490 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4491 - stl_vector.h:951-951 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 4492 - iterator_interface.hpp:166-459 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 4493 - localtopology.cpp:731-787 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.03 | 0.03 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 4494 - stl_algo.h:118-118 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○fftwf_codelet_r2cf_3 | libfftw3f.so.3.5.5 | 0.03 | 0.09 | 0.09 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 8.89 | |
►float _INTERNAL72b35b0f::(anonymous namespace)::idihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef<float const>, t_fcdata*, t_disresdata*...+ | libgromacs_mpi.so.7 | 0.03 | 0.08 | 0.08 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 1.77 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 22159 - bonded.cpp:1822-2327 - libgromacs_mpi.so.7 [...] | | 0.03 | 0.08 | 0.08 | 1 | 0.00 | 0.00 | | 1.64 | |
○fftwf_khc2c_register | libfftw3f.so.3.5.5 | 0.03 | 0.08 | 0.08 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 5.73 | |
○__GI___printf_fp_l | libc-2.28.so | 0.03 | 0.08 | 0.08 | 1 | 0.00 | 0.00 | IO (%): 100.00 | 0.00 | |
►unwrap_periodic_pmegrid(gmx_pme_t*, float*)+ | libgromacs_mpi.so.7 | 0.03 | 0.09 | 0.09 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 22719 - pme_grid.cpp:496-504 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 22720 - pme_grid.cpp:496-504 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22721 - pme_grid.cpp:502-504 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22722 - pme_grid.cpp:500-504 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
►Loop 22711 - pme_grid.cpp:512-539 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 22712 - pme_grid.cpp:518-539 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22714 - pme_grid.cpp:518-522 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22713 - pme_grid.cpp:520-522 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 22715 - pme_grid.cpp:496-539 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 22716 - pme_grid.cpp:496-539 - libgromacs_mpi.so.7 [...]+ | | 0.02 | 0.05 | 0.05 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 22717 - pme_grid.cpp:537-539 - libgromacs_mpi.so.7 | | 0.01 | 0.03 | 0.03 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 22718 - pme_grid.cpp:535-539 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►_INTERNALcd96ede4::atoms_to_settles(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<std::vector<int, std::allocator<int> > const>, int, int, InteractionList*, std::vector<int, std::allocator<int&...+ | libgromacs_mpi.so.7 | 0.03 | 0.08 | 0.08 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 4263 - domdec_constraints.cpp:234-282 - libgromacs_mpi.so.7 [...]+ | | 0.02 | 0.05 | 0.05 | 1 | 0.00 | 0.00 | | 0.00 | |
►Loop 4264 - domdec_constraints.cpp:254-264 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 4273 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4269 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4266 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4270 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4274 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 4267 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 4271 - stl_vector.h:296-1646 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4272 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 4268 - new_allocator.h:101-130 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4265 - vector.tcc:589-590 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►_INTERNAL14e05f89::postProcessForces(t_commrec const*, long, t_nrnb*, gmx_wallcycle*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ForceOutputs*, float (*) [3], t_mdatoms const*, t_forcerec const*, gmx::VirtualSitesHa...+ | libgromacs_mpi.so.7 | 0.03 | 0.08 | 0.08 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.91 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 20295 - sim_util.cpp:150-150 - libgromacs_mpi.so.7 [...] | | 0.03 | 0.08 | 0.08 | 1 | 0.00 | 0.00 | | 0.91 | |
○Loop 20296 - sim_util.cpp:270-287 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*)+ | libgromacs_mpi.so.7 | 0.03 | 0.09 | 0.09 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.03 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 19840 - mdatoms.cpp:328-497 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 19839 - mdatoms.cpp:328-497 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 19838 - mdatoms.cpp:328-497 - libgromacs_mpi.so.7 [...]+ | | 0.03 | 0.09 | 0.09 | 1 | 0.00 | 0.00 | | 0.03 | |
○Loop 19841 - stl_vector.h:951-951 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
○fftwf_mkproblem_rdft_0_d | libfftw3f.so.3.5.5 | 0.03 | 0.08 | 0.08 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 8.38 | |
►calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3])+ | libgromacs_mpi.so.7 | 0.02 | 0.06 | 0.06 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 17.33 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 18945 - calcvir.cpp:61-81 - libgromacs_mpi.so.7 [...] | | 0.02 | 0.06 | 0.06 | 1 | 0.00 | 0.00 | | 17.33 | |
○Loop 18944 - calcvir.cpp:123-123 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○fftwf_dft_solve | libfftw3f.so.3.5.5 | 0.02 | 0.05 | 0.05 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 20.08 | |
►copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)+ | libgromacs_mpi.so.7 | 0.02 | 0.05 | 0.05 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.15 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 22680 - pme_grid.cpp:271-349 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 22681 - pme_grid.cpp:301-349 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22683 - pme_grid.cpp:301-303 - libgromacs_mpi.so.7 | | 0.02 | 0.05 | 0.05 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 22682 - pme_grid.cpp:303-309 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL72b35b0f::(anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...+ | libgromacs_mpi.so.7 | 0.02 | 0.07 | 0.08 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 23.36 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 22156 - bonded.cpp:2179-2256 - libgromacs_mpi.so.7 [...] | | 0.02 | 0.07 | 0.08 | 1 | 0.00 | 0.00 | | 23.34 | |
►void _INTERNALb629d8fd::get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)+ | libgromacs_mpi.so.7 | 0.02 | 0.05 | 0.05 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 4.83 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 3298 - pairlist.cpp:281-285 - libgromacs_mpi.so.7 | | 0.01 | 0.03 | 0.03 | 1 | 0.00 | 0.00 | | 3.75 | |
○Loop 3299 - pairlist.cpp:272-276 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
►copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+ | libgromacs_mpi.so.7 | 0.02 | 0.07 | 0.07 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 22684 - pme_grid.cpp:395-418 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22686 - pme_grid.cpp:395-404 - libgromacs_mpi.so.7 | | 0.02 | 0.07 | 0.07 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 22685 - pme_grid.cpp:402-404 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►void _INTERNAL86d71067::orderVector<gmx::BasicVector<float> >(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >)+ | libgromacs_mpi.so.7 | 0.02 | 0.05 | 0.05 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 4724 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.04 | 0.04 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 4723 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 [...] | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 0.00 | |
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNAL72b35b0f::(anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...+ | libgromacs_mpi.so.7 | 0.02 | 0.05 | 0.05 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 3.23 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 22220 - bonded.cpp:129-3032 - libgromacs_mpi.so.7 [...] | | 0.02 | 0.05 | 0.05 | 1 | 0.00 | 0.00 | | 3.23 | |
►void _INTERNALb629d8fd::get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)+ | libgromacs_mpi.so.7 | 0.02 | 0.06 | 0.06 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 5.17 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 3289 - pairlist.cpp:281-285 - libgromacs_mpi.so.7 | | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | | 4.81 | |
○Loop 3290 - pairlist.cpp:272-276 - libgromacs_mpi.so.7 | | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | | 5.63 | |
○fftwf_rdft2_solve | libfftw3f.so.3.5.5 | 0.02 | 0.06 | 0.06 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 5.79 | |
○fftwf_codelet_r2cfII_3 | libfftw3f.so.3.5.5 | 0.02 | 0.06 | 0.06 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 6.00 | |
○nral_rt(int) | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►_INTERNAL661916bb::gmx::set_matrix_indices(_INTERNAL661916bb::gmx::Lincs*, _INTERNAL661916bb::gmx::Task const&, _INTERNAL661916bb::gmx::ListOfLists<int> const&, bool)+ | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 19760 - lincs.cpp:1936-1962 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 0.00 | |
►Loop 19761 - stl_iterator.h:806-988 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 19762 - predefined_ops.h:90-90 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 19763 - stl_heap.h:342-346 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 19766 - stl_iterator.h:806-988 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 19767 - predefined_ops.h:90-90 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 19774 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
►Loop 19770 - stl_algo.h:1920-1955 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 19769 - stl_iterator.h:806-902 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 19771 - predefined_ops.h:43-43 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 19772 - predefined_ops.h:43-43 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 19773 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
►Loop 19764 - stl_iterator.h:806-887 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 19765 - predefined_ops.h:90-90 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 19768 - stl_heap.h:251-405 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○fftwf_mkplan_hc2hc | libfftw3f.so.3.5.5 | 0.01 | 0.03 | 0.03 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 13.79 | |
○_IO_file_xsputn | libc-2.28.so | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | IO (%): 100.00 | 0.00 | |
○_intel_fast_memcpy | gmx_mpi | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | Memory (%): 100.00 | 0.00 | |
►_INTERNAL719fd497::calc_cg_move(_IO_FILE*, long, gmx_domdec_t*, t_state*, int const*, float (*) [3], float const*, float const*, MoveLimits const&, int, int, gmx::ArrayRef<int>)+ | libgromacs_mpi.so.7 | 0.01 | 0.04 | 0.04 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 4891 - redistribute.cpp:214-392 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 4887 - redistribute.cpp:74-428 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 0.00 | |
►Loop 4886 - redistribute.cpp:349-421 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.03 | 0.03 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 4889 - redistribute.cpp:419-421 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4890 - redistribute.cpp:414-416 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4888 - redistribute.cpp:74-312 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►_INTERNALbed727ba::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<int>, int*)+ | libgromacs_mpi.so.7 | 0.01 | 0.04 | 0.04 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 2609 - grid.cpp:816-868 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 2612 - grid.cpp:851-853 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2611 - grid.cpp:855-857 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2614 - grid.cpp:823-834 - libgromacs_mpi.so.7 | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 2613 - grid.cpp:851-853 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2610 - grid.cpp:855-857 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2615 - grid.cpp:825-825 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)+ | libgromacs_mpi.so.7 | 0.01 | 0.03 | 0.03 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 22371 - manage_threading.cpp:336-397 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 22370 - manage_threading.cpp:351-367 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►Loop 22372 - manage_threading.cpp:363-367 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 22373 - manage_threading.cpp:365-367 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.03 | 0.03 | 1 | 0.00 | 0.00 | | 0.00 | |
►void std::vector<int, std::allocator<int> >::_M_range_insert<gmx::ArrayRefIter<int const> >(__gnu_cxx::__normal_iterator<int*, std::vector<int, std::allocator<int> > >, gmx::ArrayRefIter<int const>, gmx::Arra...+ | libgromacs_mpi.so.7 | 0.01 | 0.03 | 0.03 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 4592 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4589 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4590 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4593 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4591 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○do_lookup_x | ld-2.28.so | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | System (%): 100.00 | 0.00 | |
○Unknown function | libgromacs_mpi.so.7 | 0.01 | 0.03 | 0.03 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 4.46 | |
○gmx::SettleData::hw3() const | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 20.69 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►_INTERNALd64f4cfb::atomInMolblockFromGlobalAtomnr(gmx::ArrayRef<MolblockIndices const>, int)+ | libgromacs_mpi.so.7 | 0.01 | 0.04 | 0.04 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 4511 - stl_algo.h:621-633 - libgromacs_mpi.so.7 [...] | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 0.00 | |
►_INTERNAL661916bb::gmx::set_lincs_matrix_task(_INTERNAL661916bb::gmx::Lincs*, _INTERNAL661916bb::gmx::Task*, _INTERNAL661916bb::gmx::ArrayRef<float const>, int*, int*)+ | libgromacs_mpi.so.7 | 0.01 | 0.03 | 0.03 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.50 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 19738 - lincs.cpp:1251-1324 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
►Loop 19739 - lincs.cpp:1255-1324 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.03 | 0.03 | 1 | 0.00 | 0.00 | | 0.50 | |
○Loop 19740 - lincs.cpp:1291-1324 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
►globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)+ | libgromacs_mpi.so.7 | 0.01 | 0.04 | 0.04 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 4906 - reversetopology.cpp:140-147 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○__kmp_fork_call | libiomp5.so | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | OMP (%): 100.00 | 0.69 | |
○_INTERNALb629d8fd::icell_set_x(int, float, float, float, int, float const*, ClusterDistanceKernelType, NbnxnPairlistCpuWork*) | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 6.31 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○hack_digit | libc-2.28.so | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | System (%): 100.00 | 0.00 | |
►_INTERNALcd96ede4::atoms_to_constraints(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::ListOfLists<int> const>, int, InteractionList*, std::vector<int, std::allocator<int> >*)+ | libgromacs_mpi.so.7 | 0.01 | 0.04 | 0.04 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Loop 4275 - domdec_constraints.cpp:314-375 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0.01 | 1 | 0.00 | 0.00 | | 0.00 | |
►Loop 4276 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.03 | 0.03 | 1 | 0.00 | 0.00 | | 0.00 | |
○Loop 4282 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4281 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4280 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4278 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4279 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4277 - vector.tcc:589-590 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 4283 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○_INTERNALb629d8fd::makeClusterListWrapper(NbnxnPairlistCpu*, Nbnxm::Grid const&, int, Nbnxm::Grid const&, int, int, bool, nbnxn_atomdata_t const*, float, float, ClusterDistanceKernelType, int*) | libgromacs_mpi.so.7 | 0.01 | 0.04 | 0.04 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 5.31 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
►Nbnxm::Grid::calcColumnIndices(Nbnxm::Grid::Dimensions const&, gmx::UpdateGroupsCog const*, gmx::Range<int>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, int const*, int, int, gmx::ArrayRef<int>, gmx::ArrayRef<int>)+ | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | Others (%): 100.00 | 0.81 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
○Loop 2636 - grid.cpp:1241-1311 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.02 | 0.02 | 1 | 0.00 | 0.00 | | 0.81 | |
○Loop 2635 - grid.cpp:1241-1344 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2638 - grid.cpp:1259-1261 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○Loop 2637 - grid.cpp:1259-1261 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
○_IO_vfprintf | libc-2.28.so | 0.01 | 0.04 | 0.04 | 1 | 0.00 | 0.00 | IO (%): 100.00 | 0.00 | |