options

Functions and Loops

71 loops and 56 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 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
NameModuleCoverage 1x1 (%)Max Time Over Threads 1x1 (s)Time w.r.t. Wall Time 1x1 (s)Nb Threads 1x1Deviation (coverage) 1x1Deviation (walltime) 1x1Categories 1x1GFLOPS 1x1Compilation Options
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.743.39140.36140.3610.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.0049.81clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 1059 - kernel_outer.h:333-595 - libgromacs_mpi.so.7 [...]+0.852.732.7310.000.0014.04
Loop 1064 - kernel_outer.h:547-547 - libgromacs_mpi.so.7 [...]28.2191.2391.2410.000.0051.06
Loop 1062 - kernel_outer.h:565-565 - libgromacs_mpi.so.7 [...]10.7434.7634.7610.000.0052.54
Loop 1065 - impl_x86_avx_512_simd_float.h:71-462 - libgromacs_mpi.so.7 [...]1.414.564.5610.000.0037.61
Loop 1063 - impl_x86_avx_512_simd_float.h:71-462 - libgromacs_mpi.so.7 [...]1.053.413.4110.000.0047.62
Loop 1060 - kernel_outer.h:581-581 - libgromacs_mpi.so.7 [...]13.253.2510.000.0036.58
Loop 1061 - kernel_outer.h:575-578 - libgromacs_mpi.so.7 [...]0.130.410.4110.000.0037.07
fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+libgromacs_mpi.so.718.6760.3960.3910.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 15443 - fft5d.cpp:789-1407 - libgromacs_mpi.so.7 [...]+00010.000.000.00
Loop 15451 - fft5d.cpp:854-1369 - libgromacs_mpi.so.7 [...]+00010.000.000.00
Loop 15452 - fft5d.cpp:876-1166 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 15453 - fft5d.cpp:880-1166 - libgromacs_mpi.so.7 [...]+0.070.230.2310.000.000.00
Loop 15455 - fft5d.cpp:884-886 - libgromacs_mpi.so.711.5537.3737.3710.000.000.00
Loop 15454 - fft5d.cpp:884-886 - libgromacs_mpi.so.70.230.740.7510.000.000.00
Loop 15456 - fft5d.cpp:880-886 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15457 - fft5d.cpp:884-886 - libgromacs_mpi.so.700000.000.000.00
Loop 15444 - fft5d.cpp:918-1391 - libgromacs_mpi.so.7 [...]+00.010.0110.000.000.00
Loop 15445 - fft5d.cpp:939-1166 - libgromacs_mpi.so.7 [...]+00010.000.000.00
Loop 15446 - fft5d.cpp:943-1166 - libgromacs_mpi.so.7 [...]+0.050.160.1610.000.000.00
Loop 15448 - fft5d.cpp:947-949 - libgromacs_mpi.so.76.7321.7821.7810.000.000.00
Loop 15447 - fft5d.cpp:947-949 - libgromacs_mpi.so.70.020.070.0610.000.000.00
Loop 15449 - fft5d.cpp:943-949 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15450 - fft5d.cpp:947-949 - libgromacs_mpi.so.700000.000.000.00
Loop 15458 - fft5d.cpp:789-820 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 15459 - fft5d.cpp:810-820 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15460 - fft5d.cpp:814-820 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15461 - fft5d.cpp:818-820 - libgromacs_mpi.so.700000.000.000.00
Loop 15462 - fft5d.cpp:818-820 - 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.76.4720.9420.9410.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.0057.97clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 1066 - kernel_outer.h:333-603 - libgromacs_mpi.so.7 [...]+0.130.430.4310.000.0012.58
Loop 1071 - kernel_outer.h:547-547 - libgromacs_mpi.so.7 [...]4.2513.7413.7410.000.0058.34
Loop 1069 - kernel_outer.h:565-565 - libgromacs_mpi.so.7 [...]1.575.075.0710.000.0065.33
Loop 1072 - impl_x86_avx_512_simd_float.h:71-462 - libgromacs_mpi.so.7 [...]0.210.690.6910.000.0039.07
Loop 1070 - impl_x86_avx_512_simd_float.h:71-462 - libgromacs_mpi.so.7 [...]0.170.540.5410.000.0049.63
Loop 1067 - kernel_outer.h:581-581 - libgromacs_mpi.so.7 [...]0.130.410.4110.000.0049.56
Loop 1068 - kernel_outer.h:575-578 - libgromacs_mpi.so.7 [...]0.020.050.0510.000.0033.60
spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]+libgromacs_mpi.so.74.4214.314.310.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.004.99clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 15372 - pme_spread.cpp:188-988 - libgromacs_mpi.so.7 [...]+00010.000.000.00
Loop 15382 - pme_spread.cpp:358-400 - libgromacs_mpi.so.7 [...]+2.447.97.910.000.004.93
Loop 15383 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15384 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15385 - pme_spread.cpp:400-400 - libgromacs_mpi.so.700000.000.000.00
Loop 15386 - pme_spread.cpp:400-400 - libgromacs_mpi.so.700000.000.000.00
Loop 15387 - pme_simd4.h:138-148 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 15388 - pme_spread.cpp:277-975 - libgromacs_mpi.so.7 [...]+1.986.46.410.000.005.06
Loop 15389 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15391 - pme_spread.cpp:292-292 - libgromacs_mpi.so.700000.000.000.00
Loop 15393 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15392 - pme_spread.cpp:292-292 - libgromacs_mpi.so.700000.000.000.00
Loop 15390 - pme_spread.cpp:292-292 - libgromacs_mpi.so.700000.000.000.00
Loop 15379 - pme_spread.cpp:439-447 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15380 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15381 - pme_spread.cpp:445-447 - libgromacs_mpi.so.700000.000.000.00
Loop 15373 - pme_spread.cpp:439-447 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15374 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15375 - pme_spread.cpp:445-447 - libgromacs_mpi.so.700000.000.000.00
Loop 15376 - pme_spread.cpp:439-447 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 15377 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 15378 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 15394 - pme_spread.cpp:188-199 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 15396 - pme_spread.cpp:197-199 - libgromacs_mpi.so.700000.000.000.00
Loop 15395 - pme_spread.cpp:197-199 - libgromacs_mpi.so.700000.000.000.00
gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)+libgromacs_mpi.so.74.213.613.610.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.0014.96clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 15113 - pme_gather.cpp:94-348 - libgromacs_mpi.so.7 [...]+4.213.613.610.000.0014.96
Loop 15114 - pme_gather.cpp:103-323 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 15115 - pme_gather.cpp:103-323 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 15116 - pme_gather.cpp:116-120 - libgromacs_mpi.so.700000.000.000.00
Loop 15117 - pme_gather.cpp:247-251 - libgromacs_mpi.so.7 [...]00000.000.000.00
gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)+libgromacs_mpi.so.73.5511.4711.4710.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.002.74clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 13344 - lincs.cpp:270-287 - libgromacs_mpi.so.7 [...]+00.010.0110.000.000.00
Loop 13345 - lincs.cpp:270-287 - libgromacs_mpi.so.7 [...]+3.5411.4511.4510.000.002.75
Loop 13346 - lincs.cpp:282-284 - libgromacs_mpi.so.700000.000.000.00
Loop 13340 - lincs.cpp:270-340 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 13341 - lincs.cpp:270-340 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 13343 - lincs.cpp:332-336 - libgromacs_mpi.so.700000.000.000.00
Loop 13342 - lincs.cpp:332-336 - libgromacs_mpi.so.700000.000.000.00
Loop 13338 - lincs.cpp:320-322 - libgromacs_mpi.so.700000.000.000.00
Loop 13339 - lincs.cpp:320-320 - libgromacs_mpi.so.700000.000.000.00
PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]+libgromacs_mpi.so.72.056.626.6210.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.002.44clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 3120 - pairlist.cpp:152-4018 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3199 - pairlist.cpp:2891-2891 - libgromacs_mpi.so.700000.000.000.00
Loop 3197 - pairlist.cpp:258-3129 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3158 - pairlist.cpp:152-3996 - libgromacs_mpi.so.7 [...]+00.010.0110.000.001.00
Loop 3159 - pairlist.cpp:152-3996 - libgromacs_mpi.so.7 [...]+0.010.020.0210.000.000.00
Loop 3160 - pairlist.cpp:152-3996 - libgromacs_mpi.so.7 [...]+0.020.050.0510.000.000.40
Loop 3161 - pairlist.cpp:152-3996 - libgromacs_mpi.so.7 [...]+0.040.140.1410.000.000.71
Loop 3179 - pairlist.cpp:152-3996 - libgromacs_mpi.so.7 [...]+0.040.120.1210.000.001.33
Loop 3180 - pairlist_simd_2xmm.h:130-242 - libgromacs_mpi.so.7 [...]+0.361.151.1510.000.002.90
Loop 3185 - pairlist_simd_2xmm.h:130-174 - libgromacs_mpi.so.7 [...]0.622.012.0110.000.003.95
Loop 3191 - pairlist.cpp:3407-3409 - libgromacs_mpi.so.70.30.980.9810.000.000.14
Loop 3184 - pairlist_simd_2xmm.h:185-229 - libgromacs_mpi.so.7 [...]0.190.630.6310.000.004.14
Loop 3183 - pairlist.cpp:152-934 - libgromacs_mpi.so.7 [...]0.120.390.3910.000.004.23
Loop 3192 - pairlist.cpp:3392-3394 - libgromacs_mpi.so.70.080.270.2710.000.000.52
Loop 3187 - pairlist.cpp:1028-1062 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3188 - pairlist.cpp:1045-1057 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3189 - pairlist.cpp:983-1017 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3190 - pairlist.cpp:1000-1012 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3181 - pairlist.cpp:3008-3008 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3186 - stl_vector.h:1280-1289 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3182 - pairlist.cpp:3008-3008 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3165 - pairlist.cpp:1991-1995 - libgromacs_mpi.so.7 [...]0.040.140.1410.000.000.00
Loop 3175 - pairlist.cpp:607-1420 - libgromacs_mpi.so.7 [...]+0.020.050.0510.000.000.00
Loop 3176 - pairlist.cpp:607-1420 - libgromacs_mpi.so.7 [...]+0.110.360.3610.000.000.00
Loop 3177 - pairlist.cpp:607-1326 - libgromacs_mpi.so.7 [...]0.020.060.0610.000.000.00
Loop 3167 - pairlist.cpp:1981-1985 - libgromacs_mpi.so.7 [...]0.020.070.0710.000.000.00
Loop 3162 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.70.010.020.0210.000.000.00
Loop 3193 - pairlist.cpp:279-283 - libgromacs_mpi.so.70.010.040.0410.000.000.50
Loop 3172 - pairlist.cpp:1432-1648 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3173 - pairlist.cpp:1432-1638 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3174 - pairlist.cpp:1432-1638 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3166 - pairlist.cpp:1981-1985 - libgromacs_mpi.so.7 [...]00.010.0110.000.000.00
Loop 3169 - stl_algobase.h:918-919 - libgromacs_mpi.so.700000.000.000.00
Loop 3178 - pairlist.cpp:1252-1255 - libgromacs_mpi.so.700.010.0110.000.000.00
Loop 3168 - stl_algobase.h:918-919 - libgromacs_mpi.so.700010.000.000.00
Loop 3163 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.700000.000.000.00
Loop 3194 - pairlist.cpp:272-276 - libgromacs_mpi.so.700010.000.000.00
Loop 3164 - pairlist.cpp:1991-1995 - libgromacs_mpi.so.7 [...]00010.000.000.00
Loop 3171 - stl_algobase.h:918-919 - libgromacs_mpi.so.700000.000.000.00
Loop 3170 - stl_algobase.h:918-919 - libgromacs_mpi.so.700000.000.000.00
Loop 3196 - pairlist.cpp:272-276 - libgromacs_mpi.so.700.010.0110.000.001.00
Loop 3195 - pairlist.cpp:281-283 - libgromacs_mpi.so.700.010.0110.000.004.00
Loop 3157 - pairlist.cpp:2778-2781 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3156 - pairlist.cpp:258-3129 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3122 - pairlist.cpp:230-4018 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3123 - pairlist.cpp:230-4018 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3124 - pairlist.cpp:230-4018 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3125 - pairlist.cpp:230-4018 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3137 - pairlist.cpp:230-3958 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3138 - pairlist.cpp:230-3958 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3139 - pairlist.cpp:230-3958 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3140 - pairlist.cpp:230-3958 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3144 - pairlist.cpp:900-3958 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3145 - pairlist.cpp:902-904 - libgromacs_mpi.so.700000.000.000.00
Loop 3143 - pairlist.cpp:902-904 - libgromacs_mpi.so.700000.000.000.00
Loop 3141 - pairlist.cpp:1152-3958 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3146 - pairlist.cpp:900-3958 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3147 - pairlist.cpp:902-904 - libgromacs_mpi.so.700000.000.000.00
Loop 3142 - pairlist.cpp:902-904 - libgromacs_mpi.so.700000.000.000.00
Loop 3148 - pairlist.cpp:517-596 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3149 - pairlist.cpp:1152-1188 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3150 - pairlist.cpp:3407-3409 - libgromacs_mpi.so.700000.000.000.00
Loop 3151 - pairlist.cpp:3392-3394 - libgromacs_mpi.so.700000.000.000.00
Loop 3127 - pairlist.cpp:2088-2116 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3126 - pairlist.cpp:2348-2358 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3128 - pairlist.cpp:865-1834 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3129 - pairlist.cpp:865-1834 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3130 - pairlist.cpp:865-1816 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3131 - grid.h:239-295 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3132 - pairlist.cpp:865-1816 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3133 - pairlist.cpp:613-1938 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3134 - pairlist.cpp:613-1938 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3135 - pairlist.cpp:613-1326 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3136 - pairlist.cpp:613-1255 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3152 - pairlist.cpp:279-283 - libgromacs_mpi.so.700000.000.000.00
Loop 3153 - pairlist.cpp:272-276 - libgromacs_mpi.so.700000.000.000.00
Loop 3154 - pairlist.cpp:281-283 - libgromacs_mpi.so.700000.000.000.00
Loop 3155 - pairlist.cpp:272-276 - libgromacs_mpi.so.700000.000.000.00
Loop 3121 - pairlist.cpp:2778-2781 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3198 - pairlist.cpp:2891-2891 - libgromacs_mpi.so.700000.000.000.00
solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs_mpi.so.71.615.215.2110.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.0010.32clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 15274 - pme_solve.cpp:234-561 - libgromacs_mpi.so.7 [...]+0.160.520.5210.000.0011.48
Loop 15276 - pme_solve.cpp:555-561 - libgromacs_mpi.so.71.13.573.5710.000.001.84
Loop 15279 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...]0.110.340.3410.000.0044.24
Loop 15286 - pme_solve.cpp:486-496 - libgromacs_mpi.so.70.070.210.2110.000.003.81
Loop 15278 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...]0.050.160.1510.000.0074.67
Loop 15283 - pme_solve.cpp:522-531 - libgromacs_mpi.so.70.040.120.1210.000.004.33
Loop 15285 - pme_solve.cpp:499-511 - libgromacs_mpi.so.70.030.110.1110.000.0037.09
Loop 15281 - pme_solve.cpp:534-543 - libgromacs_mpi.so.70.020.070.0710.000.0073.43
Loop 15289 - pme_solve.cpp:473-475 - libgromacs_mpi.so.70.010.020.0210.000.0040.00
Loop 15288 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...]0.010.020.0210.000.0096.00
Loop 15293 - pme_solve.cpp:441-454 - libgromacs_mpi.so.70.010.020.0210.000.0016.00
Loop 15284 - pme_solve.cpp:486-496 - libgromacs_mpi.so.700000.000.000.00
Loop 15287 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...]00.010.0110.000.00112.00
Loop 15282 - pme_solve.cpp:522-531 - libgromacs_mpi.so.700000.000.000.00
Loop 15275 - pme_solve.cpp:555-560 - libgromacs_mpi.so.700000.000.000.00
Loop 15277 - pme_solve.cpp:555-561 - libgromacs_mpi.so.700000.000.000.00
Loop 15294 - pme_solve.cpp:441-454 - libgromacs_mpi.so.700000.000.000.00
Loop 15290 - pme_solve.cpp:473-475 - libgromacs_mpi.so.700000.000.000.00
Loop 15292 - pme_solve.cpp:457-470 - libgromacs_mpi.so.700000.000.000.00
Loop 15280 - pme_solve.cpp:534-543 - libgromacs_mpi.so.700000.000.000.00
Loop 15291 - pme_solve.cpp:457-470 - libgromacs_mpi.so.700.010.0110.000.0032.00
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.713.233.2310.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.003.21clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 13337 - lincs.cpp:798-810 - libgromacs_mpi.so.7 [...]0.41.291.2910.000.003.84
Loop 13335 - lincs.cpp:1085-1089 - libgromacs_mpi.so.7 [...]+0.10.320.3210.000.002.03
Loop 13336 - lincs.cpp:1087-1089 - libgromacs_mpi.so.7 [...]0.230.750.7510.000.001.40
Loop 13326 - lincs.cpp:1215-1223 - libgromacs_mpi.so.70.020.060.0610.000.003.00
Loop 13334 - lincs.cpp:1098-1098 - libgromacs_mpi.so.7 [...]0.010.040.0410.000.008.00
Loop 13327 - lincs.cpp:1202-1207 - libgromacs_mpi.so.700000.000.000.00
Loop 13329 - lincs.cpp:798-1173 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 13330 - lincs.cpp:919-931 - libgromacs_mpi.so.7 [...]0.180.590.5910.000.005.42
Loop 13332 - lincs.cpp:1155-1155 - libgromacs_mpi.so.7 [...]0.050.160.1510.000.000.00
Loop 13331 - lincs.cpp:1155-1155 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13328 - lincs.cpp:1193-1195 - libgromacs_mpi.so.700000.000.000.00
Loop 13333 - lincs.cpp:1098-1098 - libgromacs_mpi.so.7 [...]00000.000.000.00
std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*,...+libgromacs_mpi.so.70.922.982.9810.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.0011.70clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 14760 - bonded.cpp:2066-2126 - libgromacs_mpi.so.7 [...]0.922.982.9810.000.0011.70
gmx::csettle(gmx::SettleData const&, int, int, t_pbc const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float, gmx::ArrayRefWithPadding<gmx::BasicVector<flo...+libgromacs_mpi.so.70.842.712.7110.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.008.97clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 13583 - settle.cpp:423-423 - libgromacs_mpi.so.7 [...]0.762.462.4610.000.008.85
Loop 13584 - settle.cpp:423-423 - libgromacs_mpi.so.7 [...]0.080.250.2510.000.0010.24
Loop 13582 - settle.cpp:423-423 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13580 - settle.cpp:423-674 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13578 - settle.cpp:423-674 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13577 - settle.cpp:423-622 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13579 - settle.cpp:423-647 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13581 - settle.cpp:423-423 - libgromacs_mpi.so.7 [...]00000.000.000.00
nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+libgromacs_mpi.so.70.822.642.6410.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.0043.15clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 1542 - kernel_prune.cpp:76-158 - libgromacs_mpi.so.7 [...]+0.010.040.0410.000.0072.00
Loop 1543 - kernel_prune.cpp:109-149 - libgromacs_mpi.so.7 [...]0.82.592.5910.000.0042.87
spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.18]+libgromacs_mpi.so.70.792.562.5610.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.002.21clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 15397 - pme_spread.cpp:75-918 - libgromacs_mpi.so.7 [...]+00010.000.000.00
Loop 15405 - pme_spread.cpp:104-133 - libgromacs_mpi.so.7 [...]0.792.562.5610.000.002.21
Loop 15406 - pme_spread.cpp:104-145 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 15398 - pme_spread.cpp:172-174 - libgromacs_mpi.so.700000.000.000.00
Loop 15400 - pme_spread.cpp:165-167 - libgromacs_mpi.so.700000.000.000.00
Loop 15403 - stl_iterator.h:1750-1750 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 15408 - pme_spread.cpp:96-98 - libgromacs_mpi.so.700000.000.000.00
Loop 15409 - pme_spread.cpp:96-98 - libgromacs_mpi.so.700000.000.000.00
Loop 15401 - pme_spread.cpp:165-167 - libgromacs_mpi.so.700000.000.000.00
Loop 15404 - pme_spread.cpp:154-156 - libgromacs_mpi.so.700000.000.000.00
Loop 15399 - pme_spread.cpp:172-174 - libgromacs_mpi.so.700000.000.000.00
Loop 15407 - pme_spread.cpp:96-98 - libgromacs_mpi.so.700000.000.000.00
Loop 15402 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.7 [...]00000.000.000.00
mkl_dft_avx512_mg_rowbatch_plain_fwd_096_slibmkl_avx512.so.20.742.392.3910.000.00Math (%): 100.0023.10
__intel_avx_rep_memcpy+gmx_mpi0.712.312.3110.000.00Memory (%): 100.000.00
Loop 87 - - gmx_mpi0.290.920.9210.000.000.00
Loop 86 - - gmx_mpi00000.000.000.00
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.70.72.272.2710.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.008.07clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 14751 - bonded.cpp:1151-1170 - libgromacs_mpi.so.7 [...]0.72.272.2710.000.008.07
void do_pairs_simple<gmx::SimdFloat, 16, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float>, float)+libgromacs_mpi.so.70.632.052.0510.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.004.27clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 14979 - pairs.cpp:863-884 - libgromacs_mpi.so.7 [...]0.632.052.0510.000.004.27
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.70.561.821.8210.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.003.91clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 13348 - lincs.cpp:368-383 - libgromacs_mpi.so.7 [...]0.561.811.8110.000.003.93
Loop 13347 - lincs.cpp:388-401 - libgromacs_mpi.so.7 [...]00000.000.000.00
mkl_dft_avx512_mg_rowbatch_plain_bwd_096_slibmkl_avx512.so.20.561.81.810.000.00Math (%): 100.0028.76
pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*)+libgromacs_mpi.so.70.391.261.2610.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.001.71clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 4783 - pbc.cpp:823-1006 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 4784 - pbc.cpp:993-997 - libgromacs_mpi.so.700000.000.000.00
Loop 4793 - pbc.cpp:852-854 - libgromacs_mpi.so.700000.000.000.00
Loop 4790 - pbc.cpp:860-862 - libgromacs_mpi.so.700010.000.000.00
Loop 4789 - pbc.cpp:899-903 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4786 - pbc.cpp:939-941 - libgromacs_mpi.so.700000.000.000.00
Loop 4787 - pbc.cpp:947-949 - libgromacs_mpi.so.700000.000.000.00
Loop 4785 - pbc.cpp:947-949 - libgromacs_mpi.so.700000.000.000.00
Loop 4791 - pbc.cpp:852-854 - libgromacs_mpi.so.700000.000.000.00
Loop 4788 - pbc.cpp:939-941 - libgromacs_mpi.so.700000.000.000.00
Loop 4792 - pbc.cpp:860-862 - libgromacs_mpi.so.700000.000.000.00
_ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@608libgromacs_mpi.so.70.381.211.2110.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.006.12clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
__intel_avx_rep_memset+gmx_mpi0.381.231.2310.000.00Memory (%): 100.000.00
Loop 88 - - gmx_mpi00000.000.000.00
mkl_dft_avx512_ipps_cFFTfwd_64_32fclibmkl_avx512.so.20.361.171.1710.000.00Math (%): 100.0017.50
mkl_dft_avx512_ipps_cFFTinv_64_32fclibmkl_avx512.so.20.331.081.0810.000.00Math (%): 100.0021.48
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.70.321.021.0210.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.005.83clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 13719 - update.cpp:481-481 - libgromacs_mpi.so.7 [...]0.280.890.8910.000.005.75
Loop 13718 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]0.040.130.1310.000.006.38
Loop 13702 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13713 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13727 - update.cpp:1291-1332 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 13728 - update.cpp:1291-1332 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13720 - update.cpp:368-387 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13715 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13704 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13705 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13708 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13712 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13729 - update.cpp:1137-1190 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13717 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13711 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13716 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13723 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 13722 - update.cpp:368-387 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13710 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13732 - update.cpp:893-914 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13721 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13714 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13707 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13709 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13731 - update.cpp:949-965 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13703 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13724 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13706 - update.cpp:579-641 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13730 - update.cpp:1137-1190 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13726 - update.cpp:361-387 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 13725 - update.cpp:368-387 - libgromacs_mpi.so.7 [...]00000.000.000.00
mkl_dft_avx512_owns_cRealRecombine_32flibmkl_avx512.so.20.280.910.9110.000.00Math (%): 100.0012.52
reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone .extracted]+libgromacs_mpi.so.70.260.830.8310.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.001.06clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 1613 - atomdata.cpp:1149-1268 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 1616 - atomdata.cpp:1173-1179 - libgromacs_mpi.so.7 [...]0.260.830.8310.000.001.06
Loop 1615 - atomdata.cpp:1163-1169 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1614 - atomdata.cpp:1153-1159 - libgromacs_mpi.so.700000.000.000.00
copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)+libgromacs_mpi.so.70.240.770.7710.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 1554 - atomdata.cpp:226-233 - libgromacs_mpi.so.70.240.760.7610.000.000.00
Loop 1552 - atomdata.cpp:240-247 - libgromacs_mpi.so.700000.000.000.00
Loop 1551 - atomdata.cpp:172-177 - libgromacs_mpi.so.700000.000.000.00
Loop 1553 - atomdata.cpp:240-247 - libgromacs_mpi.so.700000.000.000.00
Loop 1559 - atomdata.cpp:154-158 - libgromacs_mpi.so.700000.000.000.00
Loop 1549 - atomdata.cpp:180-184 - libgromacs_mpi.so.700000.000.000.00
Loop 1550 - atomdata.cpp:180-184 - libgromacs_mpi.so.700000.000.000.00
Loop 1557 - atomdata.cpp:193-200 - libgromacs_mpi.so.700000.000.000.00
Loop 1555 - atomdata.cpp:207-214 - libgromacs_mpi.so.700000.000.000.00
Loop 1556 - atomdata.cpp:207-214 - libgromacs_mpi.so.700000.000.000.00
Loop 1558 - atomdata.cpp:161-163 - libgromacs_mpi.so.700000.000.000.00
energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)libgromacs_mpi.so.70.180.590.5910.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.001.83clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
evaluate_single(float, float, float const*, float, float, float, float, float*, float*)libgromacs_mpi.so.70.180.570.5710.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.001.07clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
__libm_atan2f_l9gmx_mpi0.170.550.5510.000.00Math (%): 100.000.96
gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) [clone .extracted]+libgromacs_mpi.so.70.160.510.5110.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 13734 - update.cpp:1637-1641 - libgromacs_mpi.so.7 [...]0.160.510.5110.000.000.00
Loop 13733 - update.cpp:1637-1641 - libgromacs_mpi.so.7 [...]00000.000.000.00
mkl_dft_avx512_owns_cCcsRecombine_32flibmkl_avx512.so.20.160.510.5110.000.00Math (%): 100.0013.53
setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*)+libgromacs_mpi.so.70.140.440.4410.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 13618 - sim_util.cpp:466-466 - libgromacs_mpi.so.7 [...]0.120.380.3810.000.000.00
Loop 13614 - sim_util.cpp:466-466 - libgromacs_mpi.so.7 [...]0.020.050.0510.000.000.00
Loop 13616 - sim_util.cpp:466-466 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13617 - sim_util.cpp:466-466 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13615 - sim_util.cpp:466-466 - 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)libgromacs_mpi.so.70.130.40.410.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.002.13clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
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.70.130.430.4310.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.001.23clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 14816 - bonded.cpp:1913-2011 - libgromacs_mpi.so.7 [...]+0.040.120.1210.000.001.58
Loop 14817 - bonded.cpp:1913-2008 - libgromacs_mpi.so.7 [...]0.10.310.3110.000.001.10
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.70.130.420.4210.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.001.55clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 4476 - threaded_force_buffer.cpp:170-211 - libgromacs_mpi.so.7 [...]+0.010.040.0410.000.002.50
Loop 4480 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.7 [...]0.120.370.3710.000.001.49
Loop 4481 - threaded_force_buffer.cpp:182-186 - libgromacs_mpi.so.7 [...]00.010.0110.000.000.00
Loop 4477 - threaded_force_buffer.cpp:207-211 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 4479 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4478 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4482 - threaded_force_buffer.cpp:182-186 - libgromacs_mpi.so.7 [...]00000.000.000.00
gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+libgromacs_mpi.so.70.130.410.4110.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 4536 - threaded_force_buffer.cpp:78-78 - libgromacs_mpi.so.7 [...]0.120.40.410.000.000.00
Loop 4535 - threaded_force_buffer.cpp:78-78 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4526 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.700000.000.000.00
Loop 4534 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.700000.000.000.00
Loop 4527 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.700000.000.000.00
Loop 4532 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.700000.000.000.00
Loop 4525 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.700000.000.000.00
Loop 4530 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.700000.000.000.00
Loop 4528 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.700000.000.000.00
Loop 4529 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.700000.000.000.00
Loop 4533 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.700000.000.000.00
Loop 4531 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.700000.000.000.00
__libm_sincosf_e7gmx_mpi0.130.40.410.000.00Exe (%): 100.001.30
dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*)libgromacs_mpi.so.70.120.380.3810.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.001.55clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
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.70.120.40.410.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.004.90clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 14807 - vec.h:141-335 - libgromacs_mpi.so.7 [...]0.120.40.410.000.004.90
DftiComputeForwardlibmkl_intel_lp64.so.20.110.370.3710.000.00Math (%): 100.0019.46
wrap_periodic_pmegrid(gmx_pme_t const*, float*)+libgromacs_mpi.so.70.10.310.3110.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.74clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 15159 - pme_grid.cpp:440-455 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 15160 - pme_grid.cpp:451-455 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15162 - pme_grid.cpp:453-455 - libgromacs_mpi.so.70.020.050.0510.000.001.60
Loop 15161 - pme_grid.cpp:453-455 - libgromacs_mpi.so.700000.000.000.00
Loop 15163 - pme_grid.cpp:436-442 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15164 - pme_grid.cpp:438-442 - libgromacs_mpi.so.7+0.010.040.0410.000.000.50
Loop 15165 - pme_grid.cpp:440-442 - libgromacs_mpi.so.70.050.160.1710.000.000.29
Loop 15166 - pme_grid.cpp:440-442 - libgromacs_mpi.so.700000.000.000.00
Loop 15155 - pme_grid.cpp:465-471 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15156 - pme_grid.cpp:467-471 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15158 - pme_grid.cpp:469-471 - libgromacs_mpi.so.70.010.040.0510.000.001.60
Loop 15157 - pme_grid.cpp:469-471 - libgromacs_mpi.so.700000.000.000.00
mkl_dft_avx512_ippsFFTInv_CCSToR_32flibmkl_avx512.so.20.090.290.2910.000.00Math (%): 100.006.07
__libm_erfcf_exgmx_mpi0.090.270.2710.000.00Math (%): 100.002.00
bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*)libgromacs_mpi.so.70.090.280.2810.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.001.68clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
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.70.090.290.2910.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.002.52clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 14978 - vec.h:141-345 - libgromacs_mpi.so.7 [...]0.090.290.2910.000.002.52
Loop 14977 - vec.h:141-345 - libgromacs_mpi.so.7 [...]00000.000.000.00
DftiComputeBackwardlibmkl_intel_lp64.so.20.090.30.310.000.00Math (%): 100.0021.87
__libm_acosf_l9gmx_mpi0.090.280.2810.000.00Math (%): 100.000.11
__libm_exp_l9gmx_mpi0.080.250.2510.000.00Math (%): 100.000.76
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.70.080.250.2510.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.009.60clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 14761 - bonded.cpp:2179-2256 - libgromacs_mpi.so.7 [...]+0.040.140.1410.000.0017.14
Loop 14762 - bonded.cpp:2185-2213 - libgromacs_mpi.so.7 [...]0.030.10.1110.000.000.00
calc_ke_part_normal(gmx::ArrayRef<gmx::BasicVector<float> const>, t_grpopts const*, t_mdatoms const*, gmx_ekindata_t*, t_nrnb*, bool) [clone .extracted]+libgromacs_mpi.so.70.080.250.2510.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.005.08clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 13413 - md_support.cpp:113-157 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 13414 - md_support.cpp:139-157 - libgromacs_mpi.so.7 [...]0.080.250.2510.000.005.08
compute_mg_row_bwdlibmkl_avx512.so.20.060.180.1810.000.00Math (%): 100.002.22
compute_mg_row_fwdlibmkl_avx512.so.20.060.180.1810.000.00Math (%): 100.005.33
unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted]+libgromacs_mpi.so.70.060.20.210.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 15188 - pme_grid.cpp:529-539 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15189 - pme_grid.cpp:535-539 - libgromacs_mpi.so.7+0.010.040.0410.000.000.00
Loop 15190 - pme_grid.cpp:537-539 - libgromacs_mpi.so.70.050.160.1610.000.000.00
Loop 15191 - pme_grid.cpp:537-539 - libgromacs_mpi.so.700000.000.000.00
quicksort+gmx_mpi0.060.180.1810.000.00Exe (%): 100.000.00
Loop 80 - - gmx_mpi+0.010.040.0410.000.000.00
Loop 81 - - gmx_mpi0.030.10.110.000.000.00
Unknown functionlibgromacs_mpi.so.70.060.180.1810.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.008.56
copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+libgromacs_mpi.so.70.050.150.1510.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 15152 - pme_grid.cpp:395-404 - libgromacs_mpi.so.7+0.050.150.1510.000.000.00
Loop 15153 - pme_grid.cpp:402-404 - libgromacs_mpi.so.700000.000.000.00
Loop 15154 - pme_grid.cpp:402-404 - libgromacs_mpi.so.700000.000.000.00
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.70.050.150.1510.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 3809 - hashedmap.h:274-281 - libgromacs_mpi.so.7 [...]+0.030.10.110.000.000.00
Loop 3812 - stl_vector.h:1145-1145 - libgromacs_mpi.so.7 [...]+0.010.040.0410.000.000.00
Loop 3813 - hashedmap.h:277-281 - libgromacs_mpi.so.700000.000.000.00
Loop 3811 - idef.h:245-247 - libgromacs_mpi.so.700000.000.000.00
Loop 3810 - idef.h:245-247 - libgromacs_mpi.so.700000.000.000.00
Loop 3814 - hashedmap.h:277-281 - libgromacs_mpi.so.700000.000.000.00
mkl_dft_avx512_ippsDFTInv_CCSToR_32flibmkl_avx512.so.20.040.130.1310.000.00Math (%): 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.70.040.120.1210.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.001.50clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 14765 - bonded.cpp:196-2327 - libgromacs_mpi.so.7 [...]0.040.120.1210.000.001.50
gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)+libgromacs_mpi.so.70.040.110.1110.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.0018.91clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 15412 - fft.cpp:115-123 - libgromacs_mpi.so.70.030.10.1110.000.0018.91
gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.70.040.130.1310.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.0045.54clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
calcVerletBufferSize(gmx_mtop_t const&, float, t_inputrec const&, int, int, float, VerletbufListSetup const&)+libgromacs_mpi.so.70.040.140.1410.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.002.14clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 12728 - calc_verletbuf.cpp:482-1116 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 12729 - calc_verletbuf.cpp:482-721 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 12730 - calc_verletbuf.cpp:482-721 - libgromacs_mpi.so.7 [...]0.040.140.1410.000.002.14
Loop 12732 - calc_verletbuf.cpp:850-852 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12731 - calc_verletbuf.cpp:850-852 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12734 - calc_verletbuf.cpp:826-828 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12733 - calc_verletbuf.cpp:826-828 - libgromacs_mpi.so.7 [...]00000.000.000.00
compute_1d_small_bwdlibmkl_avx512.so.20.040.120.1210.000.00Math (%): 100.0018.67
mkl_dft_avx512_ippsFFTFwd_RToPerm_32flibmkl_avx512.so.20.040.140.1410.000.00Math (%): 100.0012.57
parse_printf_formatlibc.so.60.040.140.1410.000.00IO (%): 100.000.00
mkl_serv_verbose_modelibmkl_core.so.20.040.130.1210.000.00Math (%): 100.000.00
mkl_dft_avx512_ippsDFTFwd_RToCCS_32flibmkl_avx512.so.20.030.090.0910.000.00Math (%): 100.0030.22
Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)+libgromacs_mpi.so.70.030.10.110.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.30clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 1701 - grid.cpp:415-420 - libgromacs_mpi.so.70.020.050.0510.000.000.00
Loop 1704 - grid.cpp:329-407 - libgromacs_mpi.so.7 [...]+0.010.040.0410.000.000.75
Loop 1706 - grid.cpp:397-400 - libgromacs_mpi.so.700000.000.000.00
Loop 1705 - grid.cpp:385-387 - libgromacs_mpi.so.7 [...]00010.000.000.00
Loop 1703 - grid.cpp:426-431 - libgromacs_mpi.so.700000.000.000.00
Loop 1702 - grid.cpp:426-431 - libgromacs_mpi.so.700000.000.000.00
Loop 1700 - grid.cpp:415-420 - libgromacs_mpi.so.700000.000.000.00
gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.70.030.090.0910.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.0016.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>) [clone .extracted]+libgromacs_mpi.so.70.030.080.0810.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 3664 - domdec_constraints.cpp:230-480 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3665 - stl_vector.h:378-1936 - libgromacs_mpi.so.7 [...]+00.010.0110.000.000.00
Loop 3669 - ga2la.h:112-126 - libgromacs_mpi.so.7 [...]+0.010.040.0410.000.000.00
Loop 3670 - hashedmap.h:277-282 - libgromacs_mpi.so.700000.000.000.00
Loop 3667 - ga2la.h:112-126 - libgromacs_mpi.so.7 [...]+0.010.020.0210.000.000.00
Loop 3668 - hashedmap.h:277-282 - libgromacs_mpi.so.700000.000.000.00
Loop 3666 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...]00000.000.000.00
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.70.030.10.110.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 3910 - partition.cpp:3219-3241 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3911 - partition.cpp:3219-3233 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3913 - domdec_internal.h:253-255 - libgromacs_mpi.so.700000.000.000.00
Loop 3912 - domdec_internal.h:253-255 - libgromacs_mpi.so.700000.000.000.00
Loop 3904 - partition.cpp:611-620 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3950 - partition.cpp:421-431 - libgromacs_mpi.so.700000.000.000.00
Loop 3981 - partition.cpp:662-913 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3996 - partition.cpp:871-899 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3999 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3998 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3982 - partition.cpp:871-874 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3987 - partition.cpp:871-890 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3993 - partition.cpp:871-899 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3985 - partition.cpp:871-890 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3992 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4000 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3995 - partition.cpp:871-899 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3988 - partition.cpp:871-894 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3984 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3997 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3994 - partition.cpp:871-899 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3990 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3991 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3989 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3983 - partition.cpp:871-874 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3986 - partition.cpp:871-894 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3947 - partition.cpp:447-2607 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3942 - partition.cpp:1505-1515 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3943 - partition.cpp:1510-1515 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3944 - stl_algobase.h:262-262 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3916 - partition.cpp:2202-2204 - libgromacs_mpi.so.700000.000.000.00
Loop 3877 - hashedmap.h:130-296 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3878 - hashedmap.h:290-293 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3879 - ga2la.h:154-158 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3880 - ga2la.h:156-158 - libgromacs_mpi.so.7 [...]00010.000.000.00
Loop 3909 - partition.cpp:551-565 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3951 - partition.cpp:171-380 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3965 - partition.cpp:186-198 - libgromacs_mpi.so.700000.000.000.00
Loop 3952 - partition.cpp:174-380 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3961 - partition.cpp:272-295 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3958 - partition.cpp:306-339 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3959 - partition.cpp:272-272 - libgromacs_mpi.so.700000.000.000.00
Loop 3953 - partition.cpp:371-375 - libgromacs_mpi.so.700000.000.000.00
Loop 3960 - partition.cpp:272-295 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3957 - partition.cpp:306-339 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3962 - partition.cpp:272-295 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3956 - partition.cpp:306-339 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3955 - partition.cpp:347-351 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3954 - partition.cpp:357-359 - libgromacs_mpi.so.700000.000.000.00
Loop 3963 - partition.cpp:174-247 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3964 - partition.cpp:243-247 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3948 - partition.cpp:445-447 - libgromacs_mpi.so.700000.000.000.00
Loop 3946 - stl_uninitialized.h:1099-1099 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3980 - partition.cpp:927-931 - libgromacs_mpi.so.700000.000.000.00
Loop 3905 - partition.cpp:611-620 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3949 - partition.cpp:445-447 - libgromacs_mpi.so.700000.000.000.00
Loop 3914 - partition.cpp:3196-3198 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3976 - hashedmap.h:229-255 - libgromacs_mpi.so.7 [...]+00010.000.000.00
Loop 3977 - hashedmap.h:232-255 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3966 - partition.cpp:150-163 - libgromacs_mpi.so.700000.000.000.00
Loop 3918 - partition.cpp:1355-2185 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3919 - partition.cpp:1416-1422 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3920 - partition.cpp:1418-1422 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3921 - partition.cpp:1418-1422 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3922 - partition.cpp:1355-2178 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3937 - partition.cpp:2091-2095 - libgromacs_mpi.so.700000.000.000.00
Loop 3933 - partition.cpp:2146-2160 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3935 - utility.h:89-96 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3934 - utility.h:89-89 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3926 - partition.cpp:1356-1382 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3927 - partition.cpp:1371-1382 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3928 - partition.cpp:1380-1382 - libgromacs_mpi.so.700000.000.000.00
Loop 3929 - partition.cpp:1375-1377 - libgromacs_mpi.so.700000.000.000.00
Loop 3930 - partition.cpp:1375-1377 - libgromacs_mpi.so.700000.000.000.00
Loop 3931 - partition.cpp:1364-1368 - libgromacs_mpi.so.700000.000.000.00
Loop 3932 - partition.cpp:1364-1368 - libgromacs_mpi.so.700000.000.000.00
Loop 3923 - partition.cpp:1391-1406 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3925 - utility.h:89-96 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3924 - utility.h:89-89 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3938 - partition.cpp:1959-2075 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3939 - partition.cpp:2063-2075 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3940 - partition.cpp:1968-1984 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3941 - partition.cpp:1973-1981 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3936 - partition.cpp:2091-2095 - libgromacs_mpi.so.700000.000.000.00
Loop 3917 - partition.cpp:1924-1926 - libgromacs_mpi.so.700000.000.000.00
Loop 3906 - ga2la.h:112-114 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3907 - hashedmap.h:277-282 - libgromacs_mpi.so.700000.000.000.00
Loop 3974 - partition.cpp:465-467 - libgromacs_mpi.so.700000.000.000.00
Loop 3969 - utility.h:89-96 - libgromacs_mpi.so.7 [...]+00010.000.000.00
Loop 3968 - utility.h:89-89 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3908 - partition.cpp:551-565 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3973 - partition.cpp:445-447 - libgromacs_mpi.so.700000.000.000.00
Loop 3915 - partition.cpp:2213-2217 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3971 - utility.h:89-96 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3970 - utility.h:89-89 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3967 - partition.cpp:722-729 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3979 - partition.cpp:927-931 - libgromacs_mpi.so.700000.000.000.00
Loop 3875 - partition.cpp:445-3135 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3876 - new_allocator.h:147-168 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3895 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]0.010.020.0210.000.000.00
Loop 3881 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
Loop 3882 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
Loop 3888 - partition.cpp:2517-2519 - libgromacs_mpi.so.700000.000.000.00
Loop 3887 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]00.010.0110.000.000.00
Loop 3900 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3884 - partition.cpp:2517-2519 - libgromacs_mpi.so.700000.000.000.00
Loop 3890 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
Loop 3901 - partition.cpp:2552-2557 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3891 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3889 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
Loop 3883 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]00.010.0110.000.000.00
Loop 3894 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
Loop 3892 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3903 - partition.cpp:447-447 - libgromacs_mpi.so.700000.000.000.00
Loop 3896 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3885 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
Loop 3893 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
Loop 3897 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
Loop 3902 - partition.cpp:2552-2557 - libgromacs_mpi.so.7 [...]00.010.0110.000.000.00
Loop 3898 - stl_algobase.h:386-388 - libgromacs_mpi.so.700.010.0110.000.000.00
Loop 3899 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...]00.010.0110.000.000.00
Loop 3886 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
Loop 3972 - partition.cpp:447-447 - libgromacs_mpi.so.700000.000.000.00
Loop 3978 - partition.cpp:1178-1182 - libgromacs_mpi.so.700000.000.000.00
Loop 3975 - partition.cpp:465-467 - libgromacs_mpi.so.700000.000.000.00
Loop 3945 - new_allocator.h:168-168 - libgromacs_mpi.so.7 [...]00000.000.000.00
__libm_expf_l9gmx_mpi0.030.090.0910.000.00Math (%): 100.001.33
int make_bondeds_zone<true>(gmx_reverse_top_t const&, gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector<gmx_molblock_t, std::allocator<gmx_molblock_t> > const&, bool, int const*, bo...+libgromacs_mpi.so.70.030.10.110.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 3793 - localtopology.cpp:103-700 - libgromacs_mpi.so.7 [...]+0.030.090.0910.000.000.00
Loop 3794 - stl_algo.h:574-579 - libgromacs_mpi.so.7 [...]00.010.0110.000.000.00
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.70.030.080.0810.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 3797 - localtopology.cpp:737-787 - libgromacs_mpi.so.7 [...]+0.010.030.0310.000.000.00
Loop 3801 - stl_vector.h:378-1899 - libgromacs_mpi.so.7 [...]+0.020.050.0510.000.000.00
Loop 3802 - hashedmap.h:277-281 - libgromacs_mpi.so.700000.000.000.00
Loop 3800 - stl_algobase.h:2070-2084 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3798 - stl_vector.h:378-1899 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3799 - hashedmap.h:277-282 - libgromacs_mpi.so.700000.000.000.00
setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted]+libgromacs_mpi.so.70.020.070.0710.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 14934 - manage_threading.cpp:336-397 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 14937 - manage_threading.cpp:351-351 - libgromacs_mpi.so.700000.000.000.00
Loop 14936 - manage_threading.cpp:351-367 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 14938 - manage_threading.cpp:363-367 - libgromacs_mpi.so.7 [...]+0.010.030.0310.000.000.00
Loop 14939 - manage_threading.cpp:365-367 - libgromacs_mpi.so.7 [...]0.010.040.0410.000.000.00
Loop 14940 - manage_threading.cpp:365-367 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 14935 - utilities.h:57-57 - libgromacs_mpi.so.7 [...]00000.000.000.00
compute_1d_small_fwdlibmkl_avx512.so.20.020.080.0810.000.00Math (%): 100.0016.00
mkl_dft_avx512_transfer_ipp_mkl_errorlibmkl_avx512.so.20.020.050.0510.000.00Math (%): 100.0041.60
gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)+libgromacs_mpi.so.70.020.060.0610.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.0029.33clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 15413 - fft.cpp:132-140 - libgromacs_mpi.so.70.020.060.0610.000.0029.33
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.70.020.060.0610.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.001.83clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 14818 - bonded.cpp:2960-3032 - libgromacs_mpi.so.7 [...]0.020.060.0610.000.001.83
std::vector<int, std::allocator<int> >::_M_default_append(unsigned long)libgromacs_mpi.so.70.020.050.0510.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone .extracted]+libgromacs_mpi.so.70.020.080.0810.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 13420 - mdatoms.cpp:327-497 - libgromacs_mpi.so.7 [...]+0.020.060.0610.000.000.00
Loop 13419 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...]00.010.0110.000.000.00
calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3])+libgromacs_mpi.so.70.020.070.0710.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.0010.71clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 12779 - calcvir.cpp:61-67 - libgromacs_mpi.so.7 [...]0.020.070.0710.000.0010.71
Loop 12781 - calcvir.cpp:123-123 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12780 - calcvir.cpp:61-81 - libgromacs_mpi.so.7 [...]00000.000.000.00
gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone .extracted]+libgromacs_mpi.so.70.020.050.0510.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.20clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 13367 - lincs.cpp:1248-1353 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 13368 - lincs.cpp:1251-1324 - libgromacs_mpi.so.7 [...]+00.010.0110.000.001.00
Loop 13369 - lincs.cpp:1255-1324 - libgromacs_mpi.so.7 [...]+0.010.040.0410.000.000.00
Loop 13370 - lincs.cpp:1291-1324 - libgromacs_mpi.so.7 [...]00000.000.000.00
mkl_serv_verbose_mode@pltlibmkl_intel_lp64.so.20.020.050.0510.000.00Math (%): 100.000.00
globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)+libgromacs_mpi.so.70.020.050.0510.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 4089 - reversetopology.cpp:140-145 - libgromacs_mpi.so.700010.000.000.00
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> >*)+libgromacs_mpi.so.70.020.080.0810.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 3645 - domdec_constraints.cpp:314-375 - libgromacs_mpi.so.7 [...]+0.010.030.0310.000.000.00
Loop 3647 - ga2la.h:112-126 - libgromacs_mpi.so.7 [...]+0.020.050.0510.000.000.00
Loop 3648 - hashedmap.h:277-282 - libgromacs_mpi.so.700000.000.000.00
Loop 3646 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...]00000.000.000.00
__xpg_basenamelibc.so.60.020.060.0610.000.00System (%): 100.000.00
copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)+libgromacs_mpi.so.70.010.020.0210.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 15143 - pme_grid.cpp:299-309 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 15144 - pme_grid.cpp:299-309 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 15145 - pme_grid.cpp:303-309 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 15146 - pme_grid.cpp:299-309 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 15148 - pme_grid.cpp:301-309 - libgromacs_mpi.so.7 [...]0.010.020.0210.000.000.00
Loop 15147 - pme_grid.cpp:301-309 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 15149 - pme_grid.cpp:299-309 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 15150 - pme_grid.cpp:301-309 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 15151 - pme_grid.cpp:303-309 - libgromacs_mpi.so.7 [...]00000.000.000.00
nbnxn_atomdata_set(nbnxn_atomdata_t*, Nbnxm::GridSet const&, gmx::ArrayRef<int const>, gmx::ArrayRef<float const>, gmx::ArrayRef<long const>)+libgromacs_mpi.so.70.010.020.0210.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 1592 - atomdata.cpp:703-809 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 1593 - atomdata.cpp:703-809 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 1596 - atomdata.cpp:792-794 - libgromacs_mpi.so.700000.000.000.00
Loop 1595 - atomdata.cpp:801-803 - libgromacs_mpi.so.700010.000.000.00
Loop 1594 - atomdata.cpp:801-803 - libgromacs_mpi.so.700000.000.000.00
Loop 1597 - atomdata.cpp:792-794 - libgromacs_mpi.so.700000.000.000.00
Loop 1599 - atomdata.cpp:786-788 - libgromacs_mpi.so.700000.000.000.00
Loop 1598 - atomdata.cpp:786-788 - libgromacs_mpi.so.700000.000.000.00
Loop 1600 - atomdata.cpp:125-715 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 1601 - atomdata.cpp:125-715 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 1603 - atomdata.cpp:125-127 - libgromacs_mpi.so.700000.000.000.00
Loop 1604 - atomdata.cpp:125-127 - libgromacs_mpi.so.700010.000.000.00
Loop 1602 - atomdata.cpp:130-132 - libgromacs_mpi.so.700000.000.000.00
Loop 1588 - atomdata.cpp:832-853 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 1589 - atomdata.cpp:839-853 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 1590 - atomdata.cpp:845-853 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1591 - atomdata.cpp:845-853 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1578 - atomdata.cpp:703-918 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 1579 - atomdata.cpp:703-918 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 1580 - atomdata.cpp:703-883 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1581 - atomdata.cpp:703-883 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1582 - atomdata.cpp:685-880 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 1583 - atomdata.cpp:685-738 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 1586 - atomdata.cpp:685-691 - libgromacs_mpi.so.700.010.0110.000.000.00
Loop 1584 - atomdata.cpp:685-691 - libgromacs_mpi.so.700000.000.000.00
Loop 1587 - atomdata.cpp:685-691 - libgromacs_mpi.so.700000.000.000.00
Loop 1585 - atomdata.cpp:685-691 - libgromacs_mpi.so.700000.000.000.00
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.70.010.040.0410.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 3833 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
Loop 3835 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
Loop 3831 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
Loop 3830 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
Loop 3834 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
Loop 3832 - stl_algobase.h:386-388 - libgromacs_mpi.so.700000.000.000.00
mk_mshift(_IO_FILE*, t_graph*, PbcType, float const (*) [3], float const (*) [3])+libgromacs_mpi.so.70.010.030.0310.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 4683 - mshift.cpp:792-794 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4682 - mshift.cpp:792-794 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4696 - mshift.cpp:712-714 - libgromacs_mpi.so.700000.000.000.00
Loop 4684 - mshift.cpp:454-775 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 4679 - mshift.cpp:654-656 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4695 - mshift.cpp:654-656 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4686 - mshift.cpp:454-775 - libgromacs_mpi.so.7 [...]+00010.000.000.00
Loop 4687 - mshift.cpp:454-712 - libgromacs_mpi.so.7 [...]+00.010.0110.000.000.00
Loop 4688 - mshift.cpp:492-507 - libgromacs_mpi.so.700000.000.000.00
Loop 4689 - mshift.cpp:455-712 - libgromacs_mpi.so.7 [...]+00010.000.000.00
Loop 4690 - mshift.cpp:471-473 - libgromacs_mpi.so.700000.000.000.00
Loop 4692 - mshift.cpp:463-465 - libgromacs_mpi.so.700000.000.000.00
Loop 4691 - mshift.cpp:471-473 - libgromacs_mpi.so.700000.000.000.00
Loop 4693 - mshift.cpp:463-465 - libgromacs_mpi.so.700000.000.000.00
Loop 4685 - mshift.cpp:654-656 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4694 - mshift.cpp:654-656 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4680 - stl_vector.h:990-1263 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 4681 - mshift.cpp:676-680 - libgromacs_mpi.so.7 [...]00000.000.000.00
gmx::InMemoryDeserializer::doReal(float*)libgromacs_mpi.so.70.010.020.0210.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*)+libgromacs_mpi.so.70.010.030.0310.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 4074 - redistribute.cpp:727-730 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4067 - hashedmap.h:229-255 - libgromacs_mpi.so.7 [...]+00010.000.000.00
Loop 4068 - hashedmap.h:232-255 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4075 - redistribute.cpp:679-703 - libgromacs_mpi.so.7 [...]00010.000.000.00
Loop 4072 - stl_vector.h:1126-1145 - libgromacs_mpi.so.7 [...]00010.000.000.00
Loop 4070 - redistribute.cpp:91-100 - libgromacs_mpi.so.7 [...]00.010.0110.000.000.00
Loop 4073 - redistribute.cpp:711-713 - libgromacs_mpi.so.700000.000.000.00
Loop 4062 - redistribute.cpp:74-957 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 4064 - stl_vector.h:378-1936 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 4063 - utility.h:89-95 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4065 - redistribute.cpp:74-898 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 4066 - redistribute.cpp:867-869 - libgromacs_mpi.so.700000.000.000.00
Loop 4061 - redistribute.cpp:776-810 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4071 - redistribute.cpp:91-100 - libgromacs_mpi.so.7 [...]00010.000.000.00
Loop 4069 - redistribute.cpp:91-100 - libgromacs_mpi.so.7 [...]00000.000.000.00
unwrap_periodic_pmegrid(gmx_pme_t*, float*)+libgromacs_mpi.so.70.010.020.0210.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 15167 - pme_grid.cpp:496-504 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15168 - pme_grid.cpp:500-504 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15170 - pme_grid.cpp:502-504 - libgromacs_mpi.so.70.010.020.0210.000.000.00
Loop 15169 - pme_grid.cpp:502-504 - libgromacs_mpi.so.700000.000.000.00
_IO_vfprintflibc.so.60.010.040.0410.000.00IO (%): 100.000.00
Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData*, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, nbnxn_atomdata_t*, gmx::Range<int>, gmx::ArrayRef<int>)+libgromacs_mpi.so.70.010.040.0410.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 1697 - grid.cpp:1032-1093 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 1699 - grid.cpp:1068-1087 - libgromacs_mpi.so.7 [...]0.010.040.0410.000.000.00
Loop 1698 - grid.cpp:1091-1093 - libgromacs_mpi.so.700000.000.000.00
dd_bonded_cg_distance(gmx::MDLogger const&, gmx_mtop_t const&, t_inputrec const&, gmx::ArrayRef<gmx::BasicVector<float> const>, float const (*) [3], gmx::DDBondedChecking, float*, float*)+libgromacs_mpi.so.70.010.020.0210.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.50clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 3447 - computemultibodycutoffs.cpp:76-180 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3448 - computemultibodycutoffs.cpp:76-180 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3449 - computemultibodycutoffs.cpp:76-180 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3450 - computemultibodycutoffs.cpp:76-180 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3451 - new_allocator.h:147-168 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3452 - computemultibodycutoffs.cpp:76-306 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3455 - computemultibodycutoffs.cpp:76-116 - libgromacs_mpi.so.7 [...]+00.010.0110.000.000.00
Loop 3456 - computemultibodycutoffs.cpp:76-113 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3457 - computemultibodycutoffs.cpp:76-113 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3458 - computemultibodycutoffs.cpp:76-113 - libgromacs_mpi.so.7 [...]00010.000.000.00
Loop 3453 - computemultibodycutoffs.cpp:76-133 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3454 - computemultibodycutoffs.cpp:76-133 - libgromacs_mpi.so.7 [...]00010.000.000.00
Loop 3459 - computemultibodycutoffs.cpp:196-198 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3460 - computemultibodycutoffs.cpp:234-234 - libgromacs_mpi.so.7 [...]00000.000.000.00
gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) [clone .extracted]+libgromacs_mpi.so.70.010.020.0210.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 13351 - lincs.cpp:1936-2210 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 13352 - lincs.cpp:1936-2210 - libgromacs_mpi.so.7 [...]+00.010.0110.000.000.00
Loop 13362 - lincs.cpp:1942-1947 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13353 - stl_algobase.h:423-749 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 13354 - stl_algo.h:1799-1801 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13360 - lincs.cpp:1950-1955 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13355 - stl_algo.h:1796-1839 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 13356 - stl_algo.h:1799-1801 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13357 - stl_algobase.h:423-749 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 13358 - stl_algo.h:1799-1801 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13361 - lincs.cpp:1942-1947 - libgromacs_mpi.so.7 [...]00.010.0110.000.000.00
Loop 13359 - lincs.cpp:1950-1955 - libgromacs_mpi.so.7 [...]00010.000.000.00
dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) [clone .extracted]+libgromacs_mpi.so.70.010.040.0410.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 4082 - redistribute.cpp:543-548 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4076 - redistribute.cpp:74-428 - libgromacs_mpi.so.7 [...]+00.010.0110.000.000.00
Loop 4078 - vec.h:141-198 - libgromacs_mpi.so.7 [...]+0.010.020.0210.000.000.00
Loop 4079 - redistribute.cpp:419-419 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4080 - redistribute.cpp:414-414 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4081 - redistribute.cpp:358-360 - libgromacs_mpi.so.700000.000.000.00
Loop 4077 - redistribute.cpp:74-306 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4083 - redistribute.cpp:74-532 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 4084 - redistribute.cpp:74-306 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4085 - vec.h:141-199 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 4086 - redistribute.cpp:521-521 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4087 - redistribute.cpp:517-517 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 4088 - redistribute.cpp:481-483 - libgromacs_mpi.so.700000.000.000.00
atan2fgmx_mpi0.010.020.0210.000.00Math (%): 100.002.00
calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_vcm*) [clone .extracted]+libgromacs_mpi.so.70.010.030.0310.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 13866 - vcm.cpp:143-215 - libgromacs_mpi.so.7 [...]0.010.030.0310.000.000.00
Loop 13867 - vcm.cpp:173-177 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13869 - vcm.cpp:173-177 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13868 - vcm.cpp:173-177 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 13870 - vcm.cpp:173-177 - 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.70.010.020.0210.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 1681 - grid.cpp:598-605 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1682 - grid.cpp:633-633 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1685 - grid.cpp:476-483 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1691 - grid.cpp:911-915 - libgromacs_mpi.so.700000.000.000.00
Loop 1679 - grid.cpp:531-536 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1687 - grid.cpp:504-509 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1689 - grid.cpp:921-923 - libgromacs_mpi.so.700000.000.000.00
Loop 1684 - grid.cpp:476-483 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1690 - grid.cpp:911-915 - libgromacs_mpi.so.700000.000.000.00
Loop 1692 - grid.cpp:911-915 - libgromacs_mpi.so.700000.000.000.00
Loop 1678 - grid.cpp:531-536 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1680 - grid.cpp:598-605 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1693 - grid.cpp:816-889 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 1695 - grid.cpp:855-857 - libgromacs_mpi.so.700000.000.000.00
Loop 1696 - grid.cpp:823-834 - libgromacs_mpi.so.700.010.0110.000.000.00
Loop 1694 - grid.cpp:855-857 - libgromacs_mpi.so.700000.000.000.00
Loop 1683 - grid.cpp:633-633 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1686 - grid.cpp:504-509 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1688 - grid.cpp:921-923 - libgromacs_mpi.so.700000.000.000.00
unknown_kernel_regionkernel0.010.020.0210.000.00System (%): 100.000.00
unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted.30]+libgromacs_mpi.so.70.010.040.0410.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 15192 - pme_grid.cpp:512-522 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15193 - pme_grid.cpp:518-522 - libgromacs_mpi.so.7+00000.000.000.00
Loop 15195 - pme_grid.cpp:520-522 - libgromacs_mpi.so.70.010.040.0410.000.000.00
Loop 15194 - pme_grid.cpp:520-522 - libgromacs_mpi.so.700000.000.000.00
dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>)+libgromacs_mpi.so.70.010.020.0210.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 3644 - idef.h:255-255 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 3638 - domdec_constraints.cpp:540-549 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3639 - hashedmap.h:274-281 - libgromacs_mpi.so.7 [...]+00.010.0110.000.000.00
Loop 3640 - hashedmap.h:277-281 - libgromacs_mpi.so.700000.000.000.00
Loop 3641 - domdec_constraints.cpp:525-534 - libgromacs_mpi.so.7 [...]+00.010.0110.000.000.00
Loop 3642 - hashedmap.h:274-281 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 3643 - hashedmap.h:277-281 - libgromacs_mpi.so.700000.000.000.00
getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool)+libgromacs_mpi.so.70.010.020.0210.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 12735 - stl_vector.h:366-386 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12736 - calc_verletbuf.cpp:446-457 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12737 - new_allocator.h:147-187 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 12752 - calc_verletbuf.cpp:194-388 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12753 - calc_verletbuf.cpp:194-388 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12755 - stl_uninitialized.h:642-642 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12754 - stl_uninitialized.h:642-642 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12742 - calc_verletbuf.cpp:194-334 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 12743 - calc_verletbuf.cpp:194-334 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 12745 - calc_verletbuf.cpp:274-276 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12748 - calc_verletbuf.cpp:227-230 - libgromacs_mpi.so.700000.000.000.00
Loop 12746 - calc_verletbuf.cpp:196-233 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12744 - calc_verletbuf.cpp:274-276 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12749 - calc_verletbuf.cpp:287-304 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12747 - calc_verletbuf.cpp:196-233 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12750 - calc_verletbuf.cpp:196-413 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12738 - calc_verletbuf.cpp:162-438 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 12741 - calc_verletbuf.cpp:162-176 - libgromacs_mpi.so.7 [...]0.010.020.0210.000.000.00
Loop 12740 - stl_uninitialized.h:1099-1099 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12739 - stl_uninitialized.h:1099-1099 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 12751 - calc_verletbuf.cpp:395-413 - libgromacs_mpi.so.700000.000.000.00
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)libgromacs_mpi.so.70.010.040.0410.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.002.50clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData*, gmx::ArrayRef<Nbnxm::GridWork>, gmx::Range<int>, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, nbnxn_atomdata_t*)+libgromacs_mpi.so.70.010.020.0210.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 1721 - grid.cpp:1462-1466 - libgromacs_mpi.so.7 [...]0.010.020.0210.000.000.00
Loop 1722 - stl_vector.h:990-1936 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1720 - grid.cpp:1474-1476 - libgromacs_mpi.so.700000.000.000.00
Loop 1716 - grid.cpp:1510-1512 - libgromacs_mpi.so.700000.000.000.00
Loop 1715 - grid.cpp:1510-1512 - libgromacs_mpi.so.700000.000.000.00
Loop 1717 - grid.cpp:672-697 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 1718 - grid.cpp:678-678 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1713 - grid.cpp:707-712 - libgromacs_mpi.so.700000.000.000.00
Loop 1711 - grid.cpp:745-1389 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 1712 - grid.cpp:748-1389 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1714 - grid.cpp:707-712 - libgromacs_mpi.so.700000.000.000.00
Loop 1719 - grid.cpp:1474-1476 - libgromacs_mpi.so.700000.000.000.00
Loop 1725 - grid.cpp:1389-1412 - libgromacs_mpi.so.7 [...]+00000.000.000.00
Loop 1726 - grid.cpp:1400-1402 - libgromacs_mpi.so.7 [...]00000.000.000.00
Loop 1723 - grid.cpp:1434-1441 - libgromacs_mpi.so.7+00000.000.000.00
Loop 1724 - grid.cpp:1436-1438 - libgromacs_mpi.so.700000.000.000.00
sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted]+libgromacs_mpi.so.70.010.040.0410.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.004.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 13621 - sim_util.cpp:149-150 - libgromacs_mpi.so.7 [...]0.010.040.0410.000.004.00
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.70.010.020.0210.000.00/home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.000.50clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src...
Loop 1709 - grid.cpp:1241-1311 - libgromacs_mpi.so.7 [...]0.010.020.0210.000.000.50
Loop 1710 - grid.cpp:1241-1344 - libgromacs_mpi.so.7 [...]00000.000.000.00
__nss_database_lookuplibc.so.60.010.040.0410.000.00Others (%): 100.000.00
×