options

Functions and Loops

146 loops and 197 functions have been discarded from the report because their coverage is lower than the threshold set by object_coverage_threshold (0.01%). It represents about 0% of the application. To include them, change the value of object_coverage_threshold in the experiment directory configuration file, then rerun the command with the additionnal parameter --force-static-analysis

▼Colums Filter

Coverage 1x52 (%) Max Time Over Threads 1x52 (s) Time w.r.t. Wall Time 1x52 (s) Nb Threads 1x52 Deviation (coverage) 1x52 Deviation (walltime) 1x52 Categories 1x52 GFLOPS 1x52 Compilation Options
NameModuleCoverage 1x52 (%)Max Time Over Threads 1x52 (s)Time w.r.t. Wall Time 1x52 (s)Nb Threads 1x52Deviation (coverage) 1x52Deviation (walltime) 1x52Categories 1x52GFLOPS 1x52Compilation Options
○bool _INTERNAL8eaaea23::__kmp_wait_template<kmp_flag_64<false, true>, true, false, true>(kmp_info*, kmp_flag_64<false, true>*, void*)libiomp5.so28.7226.0419.86515.453.62OMP (%): 100.000.00
►nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)+libgromacs_mpi.so.722.0415.2915.24520.410.26/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.002374.22GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 2242 - kernel_outer.h:333-595 - libgromacs_mpi.so.7 [...]+0.510.630.35520.140.10790.12
○Loop 2243 - kernel_outer.h:547-547 - libgromacs_mpi.so.7 [...]14.5212.5710.04523.702.482404.30
○Loop 2247 - kernel_outer.h:565-565 - libgromacs_mpi.so.7 [...]5.258.883.63523.712.472589.69
○Loop 2244 - avx512fintrin.h:371-15343 - libgromacs_mpi.so.7 [...]0.70.710.49520.200.131788.57
○Loop 2248 - avx512fintrin.h:371-15343 - libgromacs_mpi.so.7 [...]0.540.930.37520.390.262209.52
○Loop 2246 - kernel_outer.h:581-581 - libgromacs_mpi.so.7 [...]0.460.570.32500.200.131905.50
○Loop 2245 - kernel_outer.h:575-578 - libgromacs_mpi.so.7 [...]0.060.10.04480.030.021580.00
►fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+libgromacs_mpi.so.75.035.323.48521.120.76/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15924 - fft5d.cpp:789-1407 - libgromacs_mpi.so.7 [...]+0.010.030.01430.010.010.00
►Loop 15925 - fft5d.cpp:918-949 - libgromacs_mpi.so.7 [...]+00.01080.000.000.00
►Loop 15926 - fft5d.cpp:939-949 - libgromacs_mpi.so.7+0.010.020270.010.000.00
►Loop 15927 - fft5d.cpp:943-949 - libgromacs_mpi.so.7+0.010.020.01410.010.000.00
○Loop 15928 - fft5d.cpp:947-949 - libgromacs_mpi.so.70.440.440.3520.090.060.00
►Loop 15933 - fft5d.cpp:789-820 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 15934 - fft5d.cpp:810-820 - libgromacs_mpi.so.7+00000.000.000.00
►Loop 15935 - fft5d.cpp:814-820 - libgromacs_mpi.so.7+00000.000.000.00
○Loop 15936 - fft5d.cpp:818-820 - libgromacs_mpi.so.700000.000.000.00
►Loop 15929 - fft5d.cpp:854-886 - libgromacs_mpi.so.7 [...]+00.01060.000.000.00
►Loop 15930 - fft5d.cpp:876-886 - libgromacs_mpi.so.7+00.020190.000.000.00
►Loop 15931 - fft5d.cpp:880-886 - libgromacs_mpi.so.7+0.670.860.46520.240.160.00
○Loop 15932 - fft5d.cpp:884-886 - libgromacs_mpi.so.73.884.542.69521.120.760.00
►gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)+libgromacs_mpi.so.74.975.343.44521.731.16/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.00345.56GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15683 - pme_gather.cpp:81-348 - libgromacs_mpi.so.7 [...]+4.975.333.44521.731.16345.56
○Loop 15684 - pme_gather.cpp:247-251 - libgromacs_mpi.so.7 [...]00000.000.000.00
►Loop 15687 - pme_gather.cpp:103-124 - libgromacs_mpi.so.7+00000.000.000.00
►Loop 15686 - pme_gather.cpp:107-124 - libgromacs_mpi.so.7+00000.000.000.00
○Loop 15685 - pme_gather.cpp:116-120 - libgromacs_mpi.so.700000.000.000.00
►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.1]+libgromacs_mpi.so.74.263.952.94521.060.71/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.00102.61GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15853 - pme_spread.cpp:186-988 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 15856 - stl_vector.h:1258-1258 - libgromacs_mpi.so.7 [...]00000.000.000.00
►Loop 15854 - pme_spread.cpp:186-988 - libgromacs_mpi.so.7 [...]+00.01020.010.000.00
►Loop 15867 - pme_spread.cpp:277-292 - libgromacs_mpi.so.7 [...]+1.181.270.81520.430.28131.63
○Loop 15871 - pme_spread.cpp:277-284 - libgromacs_mpi.so.7 [...]0.020.050.01520.020.0181.00
►Loop 15869 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7+00000.000.000.00
○Loop 15870 - pme_spread.cpp:292-292 - libgromacs_mpi.so.700000.000.000.00
○Loop 15868 - pme_spread.cpp:291-291 - libgromacs_mpi.so.700000.000.000.00
►Loop 15855 - pme_spread.cpp:186-988 - libgromacs_mpi.so.7 [...]+0.010.020300.010.000.00
►Loop 15862 - pme_spread.cpp:358-400 - libgromacs_mpi.so.7 [...]+1.61.521.11520.540.36174.91
○Loop 15863 - pme_simd4.h:138-141 - libgromacs_mpi.so.7 [...]00000.000.000.00
►Loop 15866 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7+00000.000.000.00
►Loop 15865 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7+00000.000.000.00
○Loop 15864 - pme_spread.cpp:400-400 - libgromacs_mpi.so.700000.000.000.00
►Loop 15857 - pme_spread.cpp:188-199 - libgromacs_mpi.so.7 [...]+0.130.150.09520.030.020.00
○Loop 15858 - pme_spread.cpp:197-199 - libgromacs_mpi.so.70.090.120.06520.040.020.00
►Loop 15859 - pme_spread.cpp:439-447 - libgromacs_mpi.so.7+00.020190.000.000.00
►Loop 15860 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7+0.380.440.27520.100.070.00
○Loop 15861 - pme_spread.cpp:445-447 - libgromacs_mpi.so.70.850.950.59520.220.150.00
►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.2]+libgromacs_mpi.so.73.583.032.47520.520.35/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.002.17GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15843 - pme_spread.cpp:477-1010 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 15840 - pme_spread.cpp:477-702 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 15841 - pme_spread.cpp:477-702 - libgromacs_mpi.so.7 [...]+00.010100.000.000.00
○Loop 15842 - stl_algobase.h:238-262 - libgromacs_mpi.so.7 [...]00.01060.000.000.00
►Loop 15844 - pme_spread.cpp:556-702 - libgromacs_mpi.so.7 [...]+00.010180.000.000.00
►Loop 15845 - pme_spread.cpp:574-702 - libgromacs_mpi.so.7 [...]+00.010260.000.000.00
►Loop 15850 - pme_spread.cpp:633-641 - libgromacs_mpi.so.7+0.010.020.01440.010.0110.00
►Loop 15851 - pme_spread.cpp:635-641 - libgromacs_mpi.so.7+3.382.932.34520.530.352.00
○Loop 15852 - pme_spread.cpp:639-641 - libgromacs_mpi.so.70.170.260.12520.070.044.67
►Loop 15846 - pme_spread.cpp:683-702 - libgromacs_mpi.so.7+00000.000.000.00
►Loop 15847 - pme_spread.cpp:685-702 - libgromacs_mpi.so.7+00000.000.000.00
○Loop 15848 - pme_spread.cpp:693-695 - libgromacs_mpi.so.700000.000.000.00
○Loop 15849 - pme_spread.cpp:700-702 - libgromacs_mpi.so.700000.000.000.00
►nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)+libgromacs_mpi.so.73.32.352.28520.110.07/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.002708.89GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 2249 - kernel_outer.h:333-603 - libgromacs_mpi.so.7 [...]+0.080.090.05520.030.02927.60
○Loop 2250 - kernel_outer.h:547-547 - libgromacs_mpi.so.7 [...]2.141.931.48520.560.372759.95
○Loop 2254 - kernel_outer.h:565-565 - libgromacs_mpi.so.7 [...]0.821.420.57520.590.402900.22
○Loop 2251 - avx512fintrin.h:371-15343 - libgromacs_mpi.so.7 [...]0.10.10.07520.030.022063.43
○Loop 2255 - avx512fintrin.h:371-15343 - libgromacs_mpi.so.7 [...]0.080.140.06520.060.042476.00
○Loop 2253 - kernel_outer.h:581-581 - libgromacs_mpi.so.7 [...]0.070.10.05490.040.021782.40
○Loop 2252 - kernel_outer.h:575-578 - libgromacs_mpi.so.7 [...]0.010.020.01420.010.01992.00
○void __kmp_dispatch_deo<unsigned long long>(int*, int*, ident*)libiomp5.so1.921.431.33510.200.13OMP (%): 100.000.00
►solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs_mpi.so.71.871.431.29520.120.08/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.00212.81GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15807 - pme_solve.cpp:234-561 - libgromacs_mpi.so.7 [...]+0.130.170.09520.030.0286.56
○Loop 15815 - pme_solve.cpp:534-543 - libgromacs_mpi.so.70.50.460.35520.070.04116.83
○Loop 15816 - pme_solve.cpp:522-531 - libgromacs_mpi.so.70.430.370.3520.060.04119.97
○Loop 15813 - pme_solve.cpp:555-561 - libgromacs_mpi.so.70.330.270.23520.050.03112.91
○Loop 15808 - pme_solve.cpp:499-511 - libgromacs_mpi.so.70.180.170.13520.030.02135.77
○Loop 15814 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...]0.130.140.09520.040.021337.67
○Loop 15811 - pme_solve.cpp:457-470 - libgromacs_mpi.so.70.040.050.03520.010.01154.00
○Loop 15812 - pme_solve.cpp:441-454 - libgromacs_mpi.so.70.040.050.03520.020.01142.00
○Loop 15809 - pme_solve.cpp:486-496 - libgromacs_mpi.so.70.040.060.03520.020.01136.33
○Loop 15810 - pme_solve.cpp:473-475 - libgromacs_mpi.so.70.030.040.02510.010.0130.50
○Loop 15806 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...]0.010.020.01490.010.011224.00
►nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone ._omp_fn.0]+libgromacs_mpi.so.71.461.171.01520.170.12/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0027.56GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 2729 - atomdata.cpp:1053-1223 - libgromacs_mpi.so.7 [...]+00.01060.000.000.00
►Loop 2730 - atomdata.cpp:1053-1223 - libgromacs_mpi.so.7 [...]+0.030.050.02500.010.01264.00
►Loop 2733 - atomdata.cpp:1119-1122 - libgromacs_mpi.so.7 [...]+0.630.730.44500.220.1523.27
○Loop 2734 - atomdata.cpp:1122-1122 - libgromacs_mpi.so.7 [...]0.310.490.21480.190.1328.95
○Loop 2735 - atomdata.cpp:1207-1211 - libgromacs_mpi.so.7 [...]0.360.340.25520.060.0419.20
►Loop 2732 - atomdata.cpp:1106-1109 - libgromacs_mpi.so.7 [...]+0.070.450.05190.230.1619.20
○Loop 2731 - atomdata.cpp:1109-1109 - libgromacs_mpi.so.7 [...]0.060.420.04200.180.1212.00
○_ZN17_INTERNAL8eaaea2326__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0libiomp5.so1.4410.260.99523.132.11OMP (%): 100.000.00
►clearForceBuffer(nbnxn_atomdata_t*, int)+libgromacs_mpi.so.71.291.290.89520.220.15/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 2921 - kernel_common.cpp:56-74 - libgromacs_mpi.so.7 [...]1.281.280.89520.220.150.00
►copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+libgromacs_mpi.so.71.171.010.81520.140.10/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15716 - pme_grid.cpp:395-404 - libgromacs_mpi.so.7+0.020.040.01470.010.010.00
○Loop 15717 - pme_grid.cpp:402-404 - libgromacs_mpi.so.71.150.990.8520.140.100.00
►gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>) [clone .isra.0]+libgromacs_mpi.so.71.111.050.77520.250.17/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0032.83GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 13981 - lincs.cpp:320-340 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 13980 - lincs.cpp:322-340 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 13982 - lincs.cpp:332-336 - libgromacs_mpi.so.700000.000.000.00
►Loop 13985 - lincs.cpp:270-287 - libgromacs_mpi.so.7+00.01060.000.000.00
►Loop 13984 - lincs.cpp:270-287 - libgromacs_mpi.so.7+00060.000.000.00
►Loop 13986 - lincs.cpp:276-287 - libgromacs_mpi.so.7+1.111.050.77520.250.1732.75
○Loop 13987 - lincs.cpp:282-284 - libgromacs_mpi.so.700000.000.000.00
○Loop 13983 - lincs.cpp:320-322 - libgromacs_mpi.so.700000.000.000.00
○fftwf_codelet_n1fv_13_avxlibfftw3f.so.3.6.101.090.920.75520.150.10Math (%): 100.0082.52
►nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+libgromacs_mpi.so.70.870.70.6520.070.05/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.00956.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 2725 - kernel_prune.cpp:76-163 - libgromacs_mpi.so.7 [...]+0.040.060.03520.020.01469.33
○Loop 2726 - kernel_prune.cpp:109-163 - libgromacs_mpi.so.7 [...]0.830.670.58520.070.05964.69
►gmx::lincs_update_atoms_ind(gmx::ArrayRef<int const>, gmx::ArrayRef<gmx::AtomPair const>, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3]) [clone...+libgromacs_mpi.so.70.81.010.55520.210.14/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0062.55GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 13977 - lincs.cpp:417-432 - libgromacs_mpi.so.7 [...]0.81.010.55520.210.1462.55
○Loop 13976 - lincs.cpp:437-450 - libgromacs_mpi.so.7 [...]00000.000.000.00
►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.70.80.820.55520.120.08/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.00207.71GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 14221 - settle.cpp:423-431 - libgromacs_mpi.so.7 [...]0.790.820.55520.120.08207.71
►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.0]+libgromacs_mpi.so.70.790.740.55520.080.05/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0051.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15883 - pme_spread.cpp:71-918 - libgromacs_mpi.so.7 [...]+0.010.030260.010.000.00
○Loop 15882 - pme_spread.cpp:104-145 - libgromacs_mpi.so.7 [...]0.610.580.42520.070.0566.74
○Loop 15884 - pme_spread.cpp:172-174 - libgromacs_mpi.so.70.170.150.11520.030.020.00
○Loop 15886 - pme_spread.cpp:96-98 - libgromacs_mpi.so.700.01080.000.000.00
○Loop 15885 - pme_spread.cpp:154-156 - libgromacs_mpi.so.700.01050.000.000.00
►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.70.750.680.52520.150.10/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.00109.04GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 14002 - lincs.cpp:798-809 - libgromacs_mpi.so.7 [...]0.30.360.21520.080.05136.38
►Loop 14003 - lincs.cpp:1085-1089 - libgromacs_mpi.so.7 [...]+0.220.220.15520.050.0348.47
○Loop 14005 - lincs.cpp:1087-1089 - libgromacs_mpi.so.7 [...]0.030.050.02440.020.0141.50
○Loop 14004 - lincs.cpp:1098-1098 - libgromacs_mpi.so.7 [...]0.010.020.01340.010.0096.00
►Loop 13995 - lincs.cpp:919-1238 - libgromacs_mpi.so.7 [...]+00.01080.000.000.00
○Loop 13996 - lincs.cpp:1215-1223 - libgromacs_mpi.so.70.010.030.01510.010.0199.00
►Loop 13999 - lincs.cpp:919-1173 - libgromacs_mpi.so.7 [...]+0.010.020.01310.010.0032.00
○Loop 14001 - lincs.cpp:919-930 - libgromacs_mpi.so.7 [...]0.130.170.09520.050.03181.33
○Loop 14000 - lincs.cpp:1155-1155 - libgromacs_mpi.so.7 [...]0.030.070.02500.020.0156.00
○Loop 13997 - lincs.cpp:1202-1207 - libgromacs_mpi.so.700000.000.000.00
○Loop 13998 - lincs.cpp:1193-1195 - libgromacs_mpi.so.700.010230.010.000.00
○_INTERNAL8eaaea23::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*)libiomp5.so0.675.090.46511.420.95OMP (%): 100.000.00
○fftwf_codelet_t1bv_32_avxlibfftw3f.so.3.6.100.650.640.45520.120.08Math (%): 100.00282.31
►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.70.610.610.42520.130.09/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0028.19GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 5088 - threaded_force_buffer.cpp:178-211 - libgromacs_mpi.so.7 [...]+0.010.020.01460.010.0131.00
►Loop 5091 - threaded_force_buffer.cpp:207-211 - libgromacs_mpi.so.7 [...]+0.490.510.34520.130.0931.35
○Loop 5090 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 5087 - threaded_force_buffer.cpp:182-186 - libgromacs_mpi.so.7 [...]0.080.090.05520.020.0112.80
○Loop 5089 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.7 [...]0.030.130.02390.040.039.00
○Loop 5092 - threaded_force_buffer.cpp:178-182 - libgromacs_mpi.so.700000.000.000.00
○fftwf_codelet_t2sv_16_sse2libfftw3f.so.3.6.100.60.50.42520.070.05Math (%): 100.00215.52
►makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)+libgromacs_mpi.so.70.570.50.39520.070.04/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.00208.36GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 3678 - pairlist_simd_2xmm.h:130-176 - libgromacs_mpi.so.7 [...]0.310.30.21520.050.04185.19
○Loop 3680 - pairlist_simd_2xmm.h:185-231 - libgromacs_mpi.so.7 [...]0.090.10.06520.030.02315.33
○Loop 3679 - pairlist_simd_2xmm.h:237-243 - libgromacs_mpi.so.7 [...]0.080.090.05520.020.016.40
►PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]+libgromacs_mpi.so.70.570.490.4520.060.04/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0012.73GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 3725 - pairlist.cpp:189-4014 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 3718 - pairlist.cpp:189-4014 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 3719 - clusterdistancekerneltype.h:89-89 - libgromacs_mpi.so.7 [...]00000.000.000.00
►Loop 3720 - pairlist.cpp:2170-4014 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 3692 - pairlist.cpp:2170-4014 - libgromacs_mpi.so.7 [...]00.01010.000.000.00
○Loop 3693 - iterator_interface.hpp:305-305 - libgromacs_mpi.so.7 [...]00010.000.000.00
►Loop 3690 - pairlist.cpp:189-3518 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 3691 - pairlist.cpp:3053-3053 - libgromacs_mpi.so.700000.000.000.00
○Loop 3721 - clusterdistancekerneltype.h:79-79 - libgromacs_mpi.so.700000.000.000.00
►Loop 3689 - pairlist.cpp:189-3518 - libgromacs_mpi.so.7 [...]+00.01040.000.000.00
►Loop 3729 - new_allocator.h:187-187 - libgromacs_mpi.so.7 [...]+0.040.060.03520.020.0114.00
►Loop 3742 - pairlist.cpp:2922-3472 - libgromacs_mpi.so.7 [...]+0.010.020.01390.010.0133.00
►Loop 3743 - pairlist.cpp:2922-3472 - libgromacs_mpi.so.7 [...]+0.250.230.17520.040.0321.41
○Loop 3745 - pairlist.cpp:3408-3409 - libgromacs_mpi.so.70.130.150.09520.040.027.33
○Loop 3744 - stl_algobase.h:931-931 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 3746 - pairlist.cpp:3393-3394 - libgromacs_mpi.so.700000.000.000.00
►Loop 3737 - stl_algobase.h:262-262 - libgromacs_mpi.so.7 [...]+0.010.020.01450.010.010.00
►Loop 3738 - pairlist.cpp:607-1420 - libgromacs_mpi.so.7 [...]+0.070.110.05520.030.020.00
○Loop 3740 - pairlist.cpp:607-1332 - libgromacs_mpi.so.7 [...]0.010.030.01410.010.010.00
○Loop 3739 - pairlist.cpp:1316-1324 - libgromacs_mpi.so.7 [...]00.020150.010.000.00
○Loop 3732 - pairlist.cpp:1991-1995 - libgromacs_mpi.so.70.010.020.01390.010.000.00
○Loop 3731 - pairlist.cpp:1981-1985 - libgromacs_mpi.so.70.010.030.01370.010.010.00
►Loop 3734 - stl_vector.h:990-1936 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 3735 - pairlist.cpp:1432-1644 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 3736 - pairlist.cpp:1432-1644 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 3741 - pairlist.cpp:607-1255 - libgromacs_mpi.so.7 [...]00.01060.000.000.00
○Loop 3733 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.700.020220.000.000.00
○Loop 3728 - pairlist.cpp:3238-3267 - libgromacs_mpi.so.70.010.020270.010.000.00
○Loop 3724 - pairlist.cpp:2891-2893 - libgromacs_mpi.so.700000.000.000.00
○Loop 3723 - pairlist.cpp:2891-2893 - libgromacs_mpi.so.700000.000.000.00
►Loop 3726 - pairlist.cpp:3179-3514 - libgromacs_mpi.so.7 [...]+00.010130.000.000.00
○Loop 3727 - pairlist.cpp:3207-3238 - libgromacs_mpi.so.7 [...]0.010.020290.010.000.00
►Loop 3747 - pairlist.cpp:258-3133 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 3748 - pairlist.cpp:258-3129 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 3730 - pairlist.cpp:1514-1514 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 3722 - clusterdistancekerneltype.h:89-89 - libgromacs_mpi.so.700000.000.000.00
►Loop 3695 - clusterdistancekerneltype.h:82-89 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 3696 - pairlist.cpp:613-3490 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 3697 - pairlist.cpp:613-3490 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 3698 - pairlist.cpp:613-3490 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 3699 - alloc_traits.h:276-276 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 3701 - pairlist.cpp:2348-2358 - libgromacs_mpi.so.7 [...]00000.000.000.00
►Loop 3713 - pairlist.cpp:2957-3450 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 3714 - pairlist.cpp:2957-3450 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 3715 - pairlist.cpp:2957-2959 - libgromacs_mpi.so.700000.000.000.00
○Loop 3716 - pairlist.cpp:3408-3409 - libgromacs_mpi.so.700000.000.000.00
○Loop 3717 - pairlist.cpp:3393-3394 - libgromacs_mpi.so.700000.000.000.00
○Loop 3700 - pairlist.cpp:2233-2242 - libgromacs_mpi.so.700000.000.000.00
►Loop 3702 - pairlist.cpp:1432-1834 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 3704 - stl_vector.h:990-1936 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 3706 - pairlist.cpp:1432-1816 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 3705 - grid.h:239-295 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 3707 - pairlist.cpp:1432-1816 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 3703 - alloc_traits.h:276-276 - libgromacs_mpi.so.7 [...]00000.000.000.00
►Loop 3708 - pairlist.cpp:613-1938 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 3709 - pairlist.cpp:613-1938 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 3711 - pairlist.cpp:613-1332 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 3710 - pairlist.cpp:1316-1324 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 3712 - pairlist.cpp:613-1255 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 3694 - pairlist.cpp:258-3133 - libgromacs_mpi.so.7 [...]00000.000.000.00
►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.70.530.660.36520.130.09/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.00267.89GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15438 - bonded.cpp:1151-1177 - libgromacs_mpi.so.7 [...]+0.440.60.31520.130.09306.58
○Loop 15439 - bonded.cpp:1157-1177 - libgromacs_mpi.so.70.080.110.06520.030.0223.33
○kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check()libiomp5.so0.510.640.35520.150.10OMP (%): 100.000.00
►gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const [3]>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> co...+libgromacs_mpi.so.70.50.430.35520.070.05/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0075.63GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 14344 - update.cpp:358-1813 - libgromacs_mpi.so.7 [...]+00010.000.000.00
►Loop 14342 - update.cpp:358-1813 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 14343 - array:200-200 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 14341 - update.cpp:358-1813 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 14340 - update.cpp:358-1813 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 14327 - stl_vector.h:1258-1263 - libgromacs_mpi.so.7 [...]+0.020.030.01440.010.0132.00
○Loop 14337 - avx512fintrin.h:457-13377 - libgromacs_mpi.so.7 [...]0.420.370.29520.060.0475.59
○Loop 14338 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]0.060.060.04520.020.01105.75
○Loop 14335 - update.cpp:893-910 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 14334 - update.cpp:949-961 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 14331 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 14339 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 14330 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 14329 - update.cpp:1137-1190 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 14328 - update.cpp:1137-1190 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 14336 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 14332 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 14333 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
○__nss_database_lookuplibc.so.60.490.670.34520.190.13Others (%): 100.000.00
○fftwf_codelet_t1fv_32_avxlibfftw3f.so.3.6.100.430.510.3520.080.06Math (%): 100.00465.33
○fftwf_codelet_hc2cfdftv_12_sse2libfftw3f.so.3.6.100.410.380.28520.070.04Math (%): 100.00308.54
►gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+libgromacs_mpi.so.70.40.650.28520.190.13/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 5110 - threaded_force_buffer.cpp:78-81 - libgromacs_mpi.so.7 [...]0.390.650.27520.190.130.00
○Loop 5107 - threaded_force_buffer.cpp:90-92 - libgromacs_mpi.so.700000.000.000.00
○Loop 5108 - threaded_force_buffer.cpp:90-94 - libgromacs_mpi.so.700000.000.000.00
○Loop 5109 - stl_algobase.h:918-919 - libgromacs_mpi.so.700.020160.000.000.00
►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>, gmx::ArrayRef<float>, gmx::ArrayRef<bool>, gmx::ArrayRef<unsigned short>, ...+libgromacs_mpi.so.70.340.30.23520.060.04/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.00181.87GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15583 - pairs.cpp:863-893 - libgromacs_mpi.so.7 [...]+0.20.20.14520.040.03265.43
○Loop 15584 - pairs.cpp:869-893 - libgromacs_mpi.so.7 [...]0.10.110.07520.030.0237.57
○Loop 15581 - pairs.cpp:606-824 - libgromacs_mpi.so.7 [...]0.040.050.03520.020.0168.00
○Loop 15585 - pairs.cpp:863-925 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 15582 - pairs.cpp:606-818 - libgromacs_mpi.so.7 [...]00000.000.000.00
►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.70.330.340.23520.060.04/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 14311 - update.cpp:1641-1641 - libgromacs_mpi.so.70.320.320.22520.060.040.00
○fftwf_rdft2_solvelibfftw3f.so.3.6.100.330.320.23520.060.04Math (%): 100.0071.61
○(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.70.320.340.22520.060.04/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.00519.27GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►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.70.320.30.22520.070.05/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.00463.82GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15433 - bonded.cpp:2022-2124 - libgromacs_mpi.so.7 [...]+0.210.220.14520.050.04713.43
○Loop 15434 - bonded.cpp:2072-2095 - libgromacs_mpi.so.70.110.110.08520.030.0227.00
○fftwf_codelet_n2fv_32_avxlibfftw3f.so.3.6.100.310.280.21520.050.03Math (%): 100.00501.33
○fftwf_codelet_n1bv_64_avxlibfftw3f.so.3.6.100.290.250.2520.040.03Math (%): 100.00574.40
►copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)+libgromacs_mpi.so.70.270.460.19380.170.11/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 2745 - atomdata.cpp:226-236 - libgromacs_mpi.so.70.270.450.18360.150.100.00
○Loop 2744 - atomdata.cpp:240-250 - libgromacs_mpi.so.700000.000.000.00
○Loop 2742 - atomdata.cpp:207-217 - libgromacs_mpi.so.700000.000.000.00
○Loop 2739 - atomdata.cpp:256-258 - libgromacs_mpi.so.700000.000.000.00
○Loop 2740 - atomdata.cpp:180-184 - libgromacs_mpi.so.700000.000.000.00
○Loop 2746 - atomdata.cpp:161-165 - libgromacs_mpi.so.700000.000.000.00
○Loop 2743 - atomdata.cpp:193-203 - libgromacs_mpi.so.700000.000.000.00
○Loop 2741 - atomdata.cpp:172-176 - libgromacs_mpi.so.700000.000.000.00
○Loop 2747 - atomdata.cpp:154-158 - libgromacs_mpi.so.700000.000.000.00
►pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*)+libgromacs_mpi.so.70.210.280.14520.060.04/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0074.50GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 5339 - pbc.cpp:989-1006 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 5338 - pbc.cpp:899-909 - libgromacs_mpi.so.7 [...]00000.000.000.00
○fftwf_codelet_n1bv_11_avxlibfftw3f.so.3.6.100.210.210.15520.040.03Math (%): 100.00381.80
►reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone ._omp_fn.0]+libgromacs_mpi.so.70.140.150.1520.030.02/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0044.10GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 2752 - atomdata.cpp:1149-1268 - libgromacs_mpi.so.7 [...]+0.010.010230.010.000.00
○Loop 2754 - atomdata.cpp:1173-1179 - libgromacs_mpi.so.7 [...]0.130.150.09520.030.0249.00
○Loop 2755 - atomdata.cpp:1153-1159 - libgromacs_mpi.so.700000.000.000.00
○Loop 2753 - atomdata.cpp:1163-1169 - libgromacs_mpi.so.7 [...]00000.000.000.00
○fftwf_transposelibfftw3f.so.3.6.100.130.140.09520.030.02Math (%): 100.00633.89
►unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone ._omp_fn.1]+libgromacs_mpi.so.70.130.150.09520.050.03/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15696 - pme_grid.cpp:535-539 - libgromacs_mpi.so.7+00.01060.000.000.00
►Loop 15698 - pme_grid.cpp:535-539 - libgromacs_mpi.so.7+0.130.150.09520.050.030.00
○Loop 15697 - pme_grid.cpp:537-539 - libgromacs_mpi.so.700000.000.000.00
○Loop 15699 - pme_grid.cpp:535-537 - libgromacs_mpi.so.700000.000.000.00
○atanflibm.so.60.130.150.09520.040.03Math (%): 100.0016.11
○_INTERNAL8eaaea23::__kmp_hyper_barrier_release(barrier_type, kmp_info*, int, int, int, void*)libiomp5.so0.120.710.08490.220.15OMP (%): 100.000.00
○evaluate_single(float, float, float const*, float, float, float, float, float*, float*)libgromacs_mpi.so.70.10.120.07520.030.02/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0041.57GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►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.70.090.10.06520.020.02/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.00277.33GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 14222 - settle.cpp:423-674 - libgromacs_mpi.so.7 [...]0.090.10.06520.020.02274.67
►calc_ke_part_normal(gmx::ArrayRef<gmx::BasicVector<float> const>, t_grpopts const*, t_mdatoms const*, gmx_ekindata_t*, t_nrnb*, bool) [clone ._omp_fn.0]+libgromacs_mpi.so.70.080.090.05520.020.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.00152.20GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 14065 - md_support.cpp:126-157 - libgromacs_mpi.so.7 [...]+00.01050.000.000.00
○Loop 14066 - md_support.cpp:139-157 - libgromacs_mpi.so.7 [...]0.070.080.05520.020.01152.20
○Loop 14067 - md_support.cpp:132-132 - libgromacs_mpi.so.7 [...]00000.000.000.00
○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.70.080.080.05520.020.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0066.40GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○__acosf_finitelibm.so.60.080.120.05520.030.02Math (%): 100.0035.40
►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.70.080.090.06520.030.02/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.00111.67GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 15461 - bonded.cpp:444-1084 - libgromacs_mpi.so.7 [...]0.080.090.06520.030.02111.67
○fftwf_codelet_hc2cfdft_2libfftw3f.so.3.6.100.070.110.05520.030.02Math (%): 100.0010.60
○f64xsubf128libm.so.60.070.540.05520.100.07Math (%): 100.0047.00
►clearRVecs(gmx::ArrayRef<gmx::BasicVector<float> >, bool) [clone ._omp_fn.0]+libgromacs_mpi.so.70.070.110.05520.020.02/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 14252 - vec.h:292-294 - libgromacs_mpi.so.70.070.10.05520.020.020.00
○fftwf_codelet_hf_32libfftw3f.so.3.6.100.060.090.04520.020.01Math (%): 100.0037.50
○dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*)libgromacs_mpi.so.70.060.090.04520.020.02/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.00101.50GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○fftwf_rdft_solvelibfftw3f.so.3.6.100.060.080.04520.020.01Math (%): 100.0091.25
○bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*)libgromacs_mpi.so.70.050.070.04520.020.02/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0044.75GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►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.70.050.070.03510.020.02/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 4257 - arrayref.h:78-260 - libgromacs_mpi.so.7 [...]+00010.000.000.00
►Loop 4258 - idef.h:232-235 - libgromacs_mpi.so.7 [...]+0.040.060.03500.020.020.00
►Loop 4259 - ga2la.h:112-126 - libgromacs_mpi.so.7 [...]+0.010.020280.010.000.00
○Loop 4262 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 4263 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...]00000.000.000.00
►Loop 4260 - ga2la.h:112-126 - libgromacs_mpi.so.7 [...]+00.010140.000.000.00
○Loop 4261 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]00000.000.000.00
○fftwf_codelet_hb_32libfftw3f.so.3.6.100.050.060.03520.020.01Math (%): 100.00222.33
○__kmp_launch_threadlibiomp5.so0.040.060.03500.030.02OMP (%): 100.000.00
○float (anonymous namespace)::dopdihs<(BondedKernelFlavor)2>(float, float, float, float, int, float, float, float*, float*)libgromacs_mpi.so.70.040.050.03520.020.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0036.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3])+libgromacs_mpi.so.70.040.070.03520.020.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0085.33GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 13590 - calcvir.cpp:61-81 - libgromacs_mpi.so.7 [...]0.040.070.03520.020.0185.33
►int 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> const>, Int...+libgromacs_mpi.so.70.040.080.03500.030.02/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 4424 - hashedmap.h:274-282 - libgromacs_mpi.so.7 [...]+0.020.060.02430.020.010.00
►Loop 4427 - stl_vector.h:1145-1145 - libgromacs_mpi.so.7 [...]+0.010.020270.010.000.00
○Loop 4426 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 4428 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 4425 - :0-0 - libgromacs_mpi.so.700000.000.000.00
○unknown_kernel_regionkernel0.040.110.03520.020.02System (%): 99.22
Math (%): 0.39
OMP (%): 0.39		5.33
►rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone ._omp_fn.0]+libgromacs_mpi.so.70.040.060.03510.020.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 3683 - pairlist.cpp:3615-3733 - libgromacs_mpi.so.7 [...]+00010.000.000.00
►Loop 3684 - pairlist.cpp:3615-3728 - libgromacs_mpi.so.7 [...]+00.010120.000.000.00
○Loop 3685 - pairlist.cpp:3624-3624 - libgromacs_mpi.so.7 [...]0.030.050.02490.010.010.00
○Loop 3686 - stl_vector.h:990-1289 - libgromacs_mpi.so.7 [...]0.010.040.01370.010.010.00
○Loop 3687 - pairlist.cpp:2891-2893 - libgromacs_mpi.so.700000.000.000.00
○Loop 3688 - pairlist.cpp:2891-2893 - libgromacs_mpi.so.700000.000.000.00
○fftwf_dft_solvelibfftw3f.so.3.6.100.030.150.02520.030.02Math (%): 100.00490.50
►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.70.030.110.02370.040.03/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.00392.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15435 - bonded.cpp:2138-2254 - libgromacs_mpi.so.7 [...]+0.020.060.01300.030.02776.00
○Loop 15436 - bonded.cpp:2185-2213 - libgromacs_mpi.so.70.010.050.01290.020.018.00
○kmp_flag_native<unsigned long long, (flag_type)1, true>::done_check()libiomp5.so0.030.230.02310.080.05OMP (%): 100.000.00
►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.70.030.050.02520.020.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0030.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15473 - bonded.cpp:1981-2010 - libgromacs_mpi.so.7 [...]+0.030.040.02520.010.0126.00
○Loop 15474 - bonded.cpp:1996-2008 - libgromacs_mpi.so.7 [...]0.010.020.01370.010.008.00
►sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone ._omp_fn.0]+libgromacs_mpi.so.70.030.050.02500.020.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0038.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 14253 - vec.h:141-147 - libgromacs_mpi.so.70.030.050.02500.020.0138.00
►unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone ._omp_fn.0]+libgromacs_mpi.so.70.030.050.02500.020.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15692 - pme_grid.cpp:518-522 - libgromacs_mpi.so.7+00010.000.000.00
○Loop 15695 - pme_grid.cpp:518-520 - libgromacs_mpi.so.700000.000.000.00
►Loop 15694 - pme_grid.cpp:518-522 - libgromacs_mpi.so.7+00010.000.000.00
○Loop 15693 - pme_grid.cpp:520-522 - libgromacs_mpi.so.70.020.040.02470.010.010.00
►void 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> > const&, gmx:...+libgromacs_mpi.so.70.030.040.02520.010.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 4437 - stl_vector.h:990-1936 - libgromacs_mpi.so.7 [...]+0.010.030300.010.000.00
►Loop 4440 - hashedmap.h:274-282 - libgromacs_mpi.so.7 [...]+0.020.030.02510.010.010.00
○Loop 4441 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]00000.000.000.00
►Loop 4438 - hashedmap.h:274-282 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 4439 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]00000.000.000.00
○__kmp_join_barrier(int)libiomp5.so0.020.040.01490.010.01OMP (%): 100.000.00
○__atan2f_finitelibm.so.60.020.050.02520.020.01Math (%): 100.0083.00
►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone ._omp_fn.0]+libgromacs_mpi.so.70.020.040.01490.010.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.002.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 14078 - mdatoms.cpp:336-497 - libgromacs_mpi.so.7 [...]+0.020.040.01490.010.012.00
○Loop 14079 - mtop_lookup.h:91-106 - libgromacs_mpi.so.7 [...]00020.000.000.00
○__kmp_barrierlibiomp5.so0.020.040.02500.010.01OMP (%): 100.000.00
►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>, t_mdatoms const*, t_fcdata...+libgromacs_mpi.so.70.020.030.01410.010.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15520 - stl_vector.h:1258-1258 - libgromacs_mpi.so.7 [...]+00.010190.000.000.00
○Loop 15519 - listed_forces.cpp:419-445 - libgromacs_mpi.so.7 [...]0.010.020.01290.010.010.00
►Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) [clone .isra.0]+libgromacs_mpi.so.70.020.040.01330.010.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.002.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 2860 - grid.cpp:415-420 - libgromacs_mpi.so.70.010.020.01270.010.010.00
►Loop 2861 - grid.cpp:329-407 - libgromacs_mpi.so.7 [...]+0.010.030260.010.010.00
○Loop 2863 - grid.cpp:397-400 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 2862 - grid.cpp:385-389 - libgromacs_mpi.so.7 [...]00.01060.000.000.00
○Loop 2859 - grid.cpp:426-431 - libgromacs_mpi.so.700000.000.000.00
○std::vector<int, std::allocator<int> >::_M_default_append(unsigned long)libgromacs_mpi.so.70.020.060.01340.020.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fopenmp -fexcess-precision=fast -funroll-all-loops
○void do_dih_fup<(BondedKernelFlavor)0>(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.70.010.030250.010.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone ._omp_fn.0]+libgromacs_mpi.so.70.010.020.01390.010.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.005.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 13972 - lincs.cpp:1248-1353 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 13973 - lincs.cpp:1251-1353 - libgromacs_mpi.so.7 [...]+00.01090.000.000.00
►Loop 13974 - lincs.cpp:1255-1353 - libgromacs_mpi.so.7 [...]+0.010.020.01370.010.004.00
○Loop 13975 - lincs.cpp:1291-1353 - libgromacs_mpi.so.7 [...]00000.000.000.00
►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.70.010.020.01410.010.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 2748 - atomdata.cpp:998-1011 - libgromacs_mpi.so.7 [...]+00010.000.000.00
►Loop 2749 - grid.h:233-266 - libgromacs_mpi.so.7 [...]+00.010150.000.000.00
○Loop 2750 - atomdata.cpp:1006-1011 - libgromacs_mpi.so.7 [...]00.010200.000.000.00
○gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo...libgromacs_mpi.so.70.010.020300.010.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○__kmp_wait_4libiomp5.so0.010.020240.000.00OMP (%): 100.000.00
►nbnxn_kernel_cpu(PairlistSet const&, Nbnxm::KernelSetup const&, nbnxn_atomdata_t*, interaction_const_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::StepWorkload const&, int, float*, float*, gmx_wallcycle*) [clone ....+libgromacs_mpi.so.70.010.020.01350.000.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 2927 - kerneldispatch.cpp:330-330 - libgromacs_mpi.so.700000.000.000.00
►Loop 2926 - kerneldispatch.cpp:114-373 - libgromacs_mpi.so.7 [...]+00.010180.000.000.00
►Loop 2930 - kerneldispatch.cpp:114-126 - libgromacs_mpi.so.7+00000.000.000.00
►Loop 2929 - kerneldispatch.cpp:116-126 - libgromacs_mpi.so.7+00000.000.000.00
○Loop 2928 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.700000.000.000.00
►Loop 2933 - kerneldispatch.cpp:114-126 - libgromacs_mpi.so.7+00000.000.000.00
►Loop 2932 - kerneldispatch.cpp:116-126 - libgromacs_mpi.so.7+00000.000.000.00
○Loop 2931 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.700000.000.000.00
►gmx::ThreadForceBuffer<float [4]>::resizeBufferAndClearMask(int)+libgromacs_mpi.so.70.010.010270.000.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 5134 - threaded_force_buffer.cpp:122-122 - libgromacs_mpi.so.7 [...]0.010.010270.000.000.00
►atomInMolblockFromGlobalAtomnr(gmx::ArrayRef<MolblockIndices const>, int)+libgromacs_mpi.so.70.010.020330.010.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 4391 - stl_algo.h:574-586 - libgromacs_mpi.so.7 [...]00.010100.000.000.00
►gmx::lincs_update_atoms(gmx::Lincs*, int, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3])+libgromacs_mpi.so.70.010.020.01430.010.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.005.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 13978 - lincs.cpp:388-401 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 13979 - lincs.cpp:368-383 - libgromacs_mpi.so.7 [...]00000.000.000.00
►Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*)+libgromacs_mpi.so.70.010.030.01320.010.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.006.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 2871 - grid.cpp:816-866 - libgromacs_mpi.so.7 [...]+0.010.020260.010.010.00
○Loop 2872 - grid.cpp:823-834 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 2869 - grid.cpp:911-915 - libgromacs_mpi.so.700000.000.000.00
○Loop 2866 - grid.cpp:476-476 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 2868 - grid.cpp:598-598 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 2865 - grid.cpp:531-531 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 2864 - grid.cpp:504-504 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 2870 - grid.cpp:921-923 - libgromacs_mpi.so.700000.000.000.00
○Loop 2867 - grid.cpp:633-633 - libgromacs_mpi.so.7 [...]00000.000.000.00
►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.70.010.020290.010.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 4392 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
○Loop 4396 - stl_algobase.h:386-388 - libgromacs_mpi.so.700030.000.000.00
○Loop 4395 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
○Loop 4393 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
○Loop 4394 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
○Loop 4397 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
►globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)+libgromacs_mpi.so.70.010.020250.010.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 4630 - reversetopology.cpp:140-147 - libgromacs_mpi.so.7 [...]00.01050.000.000.00
○__kmp_yieldlibiomp5.so0.010.030250.010.00OMP (%): 100.000.00
►void get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)+libgromacs_mpi.so.70.010.030.01460.010.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0022.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 3654 - pairlist.cpp:281-285 - libgromacs_mpi.so.700.010180.000.000.00
○Loop 3655 - pairlist.cpp:273-276 - libgromacs_mpi.so.700080.000.000.00
○__kmp_invoke_task_funclibiomp5.so0.010.020.01330.010.00OMP (%): 100.000.00
►gmx::lincs_thread_setup(gmx::Lincs*, int) [clone ._omp_fn.0]+libgromacs_mpi.so.70.010.020.01380.010.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 14036 - stl_vector.h:1126-1936 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 14037 - new_allocator.h:187-187 - libgromacs_mpi.so.7 [...]0.010.020.01380.010.000.00
○gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.70.010.020.01340.010.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►gmx::lincs_thread_setup(gmx::Lincs*, int) [clone ._omp_fn.1]+libgromacs_mpi.so.70.010.020320.010.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 14034 - lincs.cpp:1705-1715 - libgromacs_mpi.so.7 [...]+00.01050.000.000.00
○Loop 14035 - stl_vector.h:1126-1289 - libgromacs_mpi.so.7 [...]0.010.020290.010.000.00
►void orderVector<gmx::BasicVector<float> >(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >) [clone .isra.0]+libgromacs_mpi.so.70.010.19010.000.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 4476 - stl_algobase.h:386-388 - libgromacs_mpi.so.700.09010.000.000.00
○Loop 4475 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]00.09010.000.000.00
►void get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)+libgromacs_mpi.so.70.010.020.01460.010.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0024.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 3656 - pairlist.cpp:281-285 - libgromacs_mpi.so.700.010240.000.000.00
○Loop 3657 - pairlist.cpp:273-276 - libgromacs_mpi.so.700.01040.000.000.00
○fftwf_execute_dftlibfftw3f.so.3.6.100.010.030.01370.010.01Math (%): 100.000.00
►dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) [clone ._omp_fn.0]+libgromacs_mpi.so.70.010.020250.010.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00
○Loop 4609 - - libgromacs_mpi.so.7 [...]00000.000.000.00
►Loop 4606 - - libgromacs_mpi.so.7 [...]+00.010150.000.000.00
►Loop 4605 - - libgromacs_mpi.so.7 [...]+00.010170.000.000.00
○Loop 4607 - - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 4608 - - libgromacs_mpi.so.7 [...]00010.000.000.00
►Loop 4611 - - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 4610 - - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 4612 - - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 4613 - - libgromacs_mpi.so.7 [...]00000.000.000.00
►unwrap_periodic_pmegrid(gmx_pme_t*, float*)+libgromacs_mpi.so.70.010.480.0110.000.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15730 - pme_grid.cpp:496-504 - libgromacs_mpi.so.7+00000.000.000.00
○Loop 15733 - pme_grid.cpp:500-502 - libgromacs_mpi.so.700000.000.000.00
►Loop 15732 - pme_grid.cpp:500-504 - libgromacs_mpi.so.7+00010.000.000.00
○Loop 15731 - pme_grid.cpp:502-504 - libgromacs_mpi.so.70.010.470.0110.000.000.00
►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone ._omp_fn.0]+libgromacs_mpi.so.70.010.020.01440.010.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15533 - manage_threading.cpp:336-401 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 15532 - manage_threading.cpp:351-365 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 15535 - threaded_force_buffer.h:110-110 - libgromacs_mpi.so.7 [...]+0.010.020.01440.010.000.00
○Loop 15536 - threaded_force_buffer.h:110-110 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 15534 - utilities.h:57-57 - libgromacs_mpi.so.7 [...]00000.000.000.00
○__kmp_get_global_thread_id_reglibiomp5.so0.010.010300.000.00OMP (%): 100.000.00
►gmx::Constraints::Impl::apply(bool, bool, long, int, float, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, float const (*)...+libgromacs_mpi.so.70.010.020.01370.010.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 13595 - constr.cpp:592-607 - libgromacs_mpi.so.7 [...]0.010.020290.000.000.00
○gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef<float const>, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto...libgromacs_mpi.so.70.010.020.01390.010.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Unknown functionlibgromacs_mpi.so.70.010.050.01380.010.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0043.00
►std::vector<std::array<unsigned long, 2ul>, std::allocator<std::array<unsigned long, 2ul> > >::_M_fill_insert(__gnu_cxx::__normal_iterator<std::array<unsigned long, 2ul>*, std::vector<std::array<unsigned long, 2ul>...+libgromacs_mpi.so.70.010.030.01410.010.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 3794 - stl_algobase.h:918-919 - libgromacs_mpi.so.70.010.030.01370.010.010.00
○Loop 3793 - stl_algobase.h:918-919 - libgromacs_mpi.so.700000.000.000.00
○Loop 3791 - stl_algobase.h:918-919 - libgromacs_mpi.so.700.01030.000.000.00
○Loop 3790 - stl_vector.h:1896-1896 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 3792 - stl_algobase.h:918-919 - libgromacs_mpi.so.700000.000.000.00
►gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) [clone ._omp_fn.0]+libgromacs_mpi.so.70.010.020.01410.010.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 14019 - stl_vector.h:990-1936 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 14020 - lincs.cpp:1936-1962 - libgromacs_mpi.so.7 [...]+0.010.020.01350.010.000.00
►Loop 14021 - predefined_ops.h:98-98 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 14022 - stl_algo.h:1799-1801 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 14023 - lincs.cpp:1950-1955 - libgromacs_mpi.so.700050.000.000.00
○Loop 14024 - lincs.cpp:1942-1947 - libgromacs_mpi.so.700.010100.000.000.00
►divide_bondeds_over_threads(bonded_threading_t*, bool, InteractionDefinitions const&)+libgromacs_mpi.so.70.010.440.0110.000.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 15542 - manage_threading.cpp:114-175 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 15543 - manage_threading.cpp:127-170 - libgromacs_mpi.so.7 [...]+0.010.440.0110.000.000.00
○Loop 15544 - manage_threading.cpp:144-146 - libgromacs_mpi.so.700000.000.000.00
○Loop 15541 - manage_threading.cpp:175-175 - libgromacs_mpi.so.7 [...]00000.000.000.00
►Loop 15538 - manage_threading.cpp:306-320 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 15540 - manage_threading.cpp:313-317 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 15539 - utilities.h:57-57 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 15537 - manage_threading.cpp:91-99 - libgromacs_mpi.so.7 [...]00000.000.000.00
►Loop 15545 - manage_threading.cpp:195-292 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 15548 - manage_threading.cpp:247-247 - libgromacs_mpi.so.7 [...]00000.000.000.00
►Loop 15546 - manage_threading.cpp:260-274 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 15547 - manage_threading.cpp:271-274 - libgromacs_mpi.so.700000.000.000.00
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo...+libgromacs_mpi.so.70.010.030210.010.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 15472 - bonded.cpp:2960-3032 - libgromacs_mpi.so.7 [...]0.010.030210.010.010.00
○__kmp_init_implicit_tasklibiomp5.so0.010.030.01340.010.01OMP (%): 100.000.00
○approx_2dof(float, float, float*, float*)libgromacs_mpi.so.70.010.450.0110.000.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0058.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○__sched_yieldlibc.so.60.010.020.01400.010.01System (%): 100.000.00
►float (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*, t_oriresdata*, in...+libgromacs_mpi.so.70.010.040.01270.020.01/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0050.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 15478 - bonded.cpp:2290-2327 - libgromacs_mpi.so.7 [...]0.010.040.01250.020.0144.00
►gmx::dd_partition_system(_IO_FILE*, gmx::MDLogger const&, long, t_commrec const*, bool, int, t_state*, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession*, pull_t*, t_state*, gmx::ForceBuffers*, gmx::MDAtoms*, gmx_localtop_t*, t_forcerec*, g...+libgromacs_mpi.so.70.010.18010.000.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fopenmp -fexcess-precision=fast -funroll-all-loops
►Loop 4573 - partition.cpp:442-3381 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 4559 - partition.cpp:442-3381 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 4577 - stl_vector.h:990-990 - libgromacs_mpi.so.7 [...]00000.000.000.00
►Loop 4554 - char_traits.h:368-445 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 4567 - char_traits.h:445-445 - libgromacs_mpi.so.700000.000.000.00
○Loop 4561 - char_traits.h:368-445 - libgromacs_mpi.so.7 [...]00000.000.000.00
►Loop 4564 - basic_string.h:206-2209 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 4565 - char_traits.h:445-445 - libgromacs_mpi.so.700000.000.000.00
○Loop 4566 - stl_algobase.h:238-238 - libgromacs_mpi.so.7 [...]00000.000.000.00
►Loop 4562 - char_traits.h:368-445 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 4563 - :0-0 - libgromacs_mpi.so.700000.000.000.00
○Loop 4579 - partition.cpp:445-447 - libgromacs_mpi.so.700000.000.000.00
○Loop 4592 - partition.cpp:465-467 - libgromacs_mpi.so.700000.000.000.00
○Loop 4581 - ga2la.h:156-158 - libgromacs_mpi.so.7 [...]00.02010.000.000.00
►Loop 4574 - domdec_internal.h:250-258 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 4575 - partition.cpp:3144-3229 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 4578 - partition.cpp:2213-2217 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 4588 - partition.cpp:722-729 - libgromacs_mpi.so.700000.000.000.00
○Loop 4591 - partition.cpp:445-447 - libgromacs_mpi.so.700000.000.000.00
○Loop 4568 - stl_vector.h:100-1907 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 4585 - partition.cpp:2517-2519 - libgromacs_mpi.so.700.05010.000.000.00
○Loop 4582 - stl_algobase.h:386-388 - libgromacs_mpi.so.700.01010.000.000.00
○Loop 4584 - stl_algobase.h:386-388 - libgromacs_mpi.so.700010.000.000.00
○Loop 4587 - partition.cpp:445-447 - libgromacs_mpi.so.700000.000.000.00
○Loop 4586 - partition.cpp:2552-2557 - libgromacs_mpi.so.700.04010.000.000.00
○Loop 4576 - partition.cpp:3233-3233 - libgromacs_mpi.so.700000.000.000.00
○Loop 4589 - partition.cpp:722-729 - libgromacs_mpi.so.700000.000.000.00
○Loop 4590 - partition.cpp:722-729 - libgromacs_mpi.so.700000.000.000.00
○Loop 4569 - partition.cpp:611-615 - libgromacs_mpi.so.700000.000.000.00
○Loop 4583 - partition.cpp:2517-2519 - libgromacs_mpi.so.700.07010.000.000.00
►Loop 4570 - partition.cpp:573-604 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 4571 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 4580 - hashedmap.h:290-293 - libgromacs_mpi.so.700000.000.000.00
►Loop 4555 - partition.cpp:1268-1286 - libgromacs_mpi.so.7 [...]+00000.000.000.00
►Loop 4557 - partition.cpp:1268-1286 - libgromacs_mpi.so.7 [...]+00000.000.000.00
○Loop 4556 - partition.cpp:1277-1283 - libgromacs_mpi.so.700000.000.000.00
○Loop 4558 - unique_ptr.h:199-199 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 4560 - partition.cpp:1258-2966 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 4572 - partition.cpp:551-565 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 4593 - partition.cpp:1178-1182 - libgromacs_mpi.so.700000.000.000.00
○__kmp_finish_implicit_tasklibiomp5.so0.010.020.01340.010.01OMP (%): 100.000.00
►energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*) [clone .isra.0]+libgromacs_mpi.so.70.010.30.0110.000.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.0036.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 13548 - cmath:466-2141 - libgromacs_mpi.so.7 [...]00.09010.000.000.00
►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> >*) [clone .isra.0]+libgromacs_mpi.so.70.010.290.0110.000.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
►Loop 4244 - domdec_constraints.cpp:314-375 - libgromacs_mpi.so.7 [...]+00.12010.000.000.00
►Loop 4245 - domdec_constraints.cpp:338-375 - libgromacs_mpi.so.7 [...]+00.17010.000.000.00
○Loop 4246 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 4247 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...]00000.000.000.00
►gmx::ThreadedForceBuffer<float [4]>::setupReduction()+libgromacs_mpi.so.70.010.380.0110.000.00/home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 (%): 100.000.00GNU C++17 13.1.1 20230429 -mavx512f -mfma -mavx512vl -mavx512dq -mavx512bw -mtune=generic -march=x86-64 -g -O2 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp
○Loop 5135 - basic_string.h:805-805 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 5140 - threaded_force_buffer.cpp:257-261 - libgromacs_mpi.so.7 [...]00000.000.000.00
►Loop 5136 - threaded_force_buffer.cpp:272-301 - libgromacs_mpi.so.7 [...]+00.04010.000.000.00
○Loop 5138 - threaded_force_buffer.cpp:278-278 - libgromacs_mpi.so.7 [...]0.010.340.0110.000.000.00
○Loop 5137 - bitmask.h:205-212 - libgromacs_mpi.so.7 [...]00000.000.000.00
○Loop 5139 - threaded_force_buffer.cpp:290-294 - libgromacs_mpi.so.7 [...]00000.000.000.00
○atan2flibm.so.60.010.020.01510.010.01Math (%): 100.00140.00
○erfcflibm.so.60.010.430.0110.000.00Math (%): 100.0076.00
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