options

Functions and Loops

197 loops and 168 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 1x128 (%) Max Time Over Threads 1x128 (s) Time w.r.t. Wall Time 1x128 (s) Nb Threads 1x128 Deviation (coverage) 1x128 Deviation (walltime) 1x128 Categories 1x128 GFLOPS 1x128 Compilation Options
NameModuleCoverage 1x128 (%)Max Time Over Threads 1x128 (s)Time w.r.t. Wall Time 1x128 (s)Nb Threads 1x128Deviation (coverage) 1x128Deviation (walltime) 1x128Categories 1x128GFLOPS 1x128Compilation Options
○bool _INTERNAL1311483b::__kmp_wait_template<kmp_flag_64<false, true>, true, false, true>(kmp_info*, kmp_flag_64<false, true>*, void*)libiomp5.so36.6635.4820.8612713.817.76OMP (%): 100.005.42
►nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)+libgromacs.so.810.957.526.231281.250.71libgromacs.so.8 (%): 100.008052.24clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 600 - kernel_outer.h:206-496 - libgromacs.so.8 [...]+0.190.250.111280.060.037609.49
○Loop 605 - kernel_outer.h:431-431 - libgromacs.so.8 [...]7.076.184.031282.191.248186.60
○Loop 603 - kernel_outer.h:452-452 - libgromacs.so.8 [...]2.894.621.641282.331.327900.70
○Loop 606 - impl_x86_avx_256_simd_float.h:96-406 - libgromacs.so.8 [...]0.30.30.171280.100.068410.98
○Loop 604 - impl_x86_avx_256_simd_float.h:96-406 - libgromacs.so.8 [...]0.260.450.151280.220.137809.68
○Loop 601 - kernel_outer.h:473-473 - libgromacs.so.8 [...]0.210.280.121180.110.065844.43
○Loop 602 - kernel_outer.h:465-468 - libgromacs.so.8 [...]0.020.040.011170.020.017600.34
►clearForceBuffer(nbnxn_atomdata_t*, int)+libgromacs.so.88.549.64.861283.782.15libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 2070 - kernel_common.cpp:56-76 - libgromacs.so.8 [...]8.549.64.861283.782.150.00
►fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+libgromacs.so.88.38.834.721283.512.00libgromacs.so.8 (%): 100.000.58clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 16367 - fft5d.cpp:758-1369 - libgromacs.so.8 [...]+0.010.0201280.010.010.00
►Loop 16368 - fft5d.cpp:887-1132 - libgromacs.so.8 [...]+00.010240.010.000.00
►Loop 16369 - fft5d.cpp:908-1132 - libgromacs.so.8 [...]+00.010400.010.000.00
►Loop 16370 - fft5d.cpp:912-918 - libgromacs.so.8+0.010.020740.010.000.00
○Loop 16371 - fft5d.cpp:916-918 - libgromacs.so.80.460.460.261280.160.090.00
►Loop 16372 - fft5d.cpp:912-918 - libgromacs.so.8+00000.000.000.00
○Loop 16373 - fft5d.cpp:916-918 - libgromacs.so.800000.000.000.00
►Loop 16381 - fft5d.cpp:758-789 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 16382 - fft5d.cpp:779-789 - libgromacs.so.8+00000.000.000.00
►Loop 16383 - fft5d.cpp:783-789 - libgromacs.so.8+00000.000.000.00
○Loop 16384 - fft5d.cpp:787-789 - libgromacs.so.800000.000.000.00
○Loop 16385 - fft5d.cpp:787-789 - libgromacs.so.800000.000.000.00
►Loop 16374 - fft5d.cpp:823-1132 - libgromacs.so.8 [...]+00.020260.010.000.00
►Loop 16375 - fft5d.cpp:845-1132 - libgromacs.so.8 [...]+0.010.080.01630.020.010.00
►Loop 16376 - fft5d.cpp:849-855 - libgromacs.so.8+0.030.080.021200.020.010.00
○Loop 16378 - fft5d.cpp:853-855 - libgromacs.so.87.738.324.41283.341.900.00
○Loop 16377 - fft5d.cpp:853-855 - libgromacs.so.80.040.170.02880.050.030.00
►Loop 16379 - fft5d.cpp:849-855 - libgromacs.so.8+00000.000.000.00
○Loop 16380 - fft5d.cpp:853-855 - libgromacs.so.800000.000.000.00
►nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]+libgromacs.so.84.124.492.351281.771.01libgromacs.so.8 (%): 100.0019.72clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 1930 - atomdata.cpp:1022-1192 - libgromacs.so.8 [...]+00.010220.000.000.00
►Loop 1931 - atomdata.cpp:1022-1192 - libgromacs.so.8 [...]+0.010.020950.010.010.00
►Loop 1935 - atomdata.cpp:1088-1093 - libgromacs.so.8 [...]+0.460.780.261220.300.1715.92
○Loop 1937 - atomdata.cpp:1091-1093 - libgromacs.so.8 [...]2.783.661.581241.460.8319.41
○Loop 1936 - atomdata.cpp:1091-1093 - libgromacs.so.8 [...]0.581.070.331250.420.2419.47
○Loop 1939 - atomdata.cpp:1176-1180 - libgromacs.so.8 [...]0.160.210.091280.060.0427.33
○Loop 1938 - atomdata.cpp:1176-1180 - libgromacs.so.8 [...]0.010.0201000.010.000.00
►Loop 1932 - atomdata.cpp:1075-1080 - libgromacs.so.8 [...]+00.070220.040.020.00
○Loop 1934 - atomdata.cpp:1078-1080 - libgromacs.so.8 [...]0.10.820.05280.410.2335.13
○Loop 1933 - atomdata.cpp:1078-1080 - libgromacs.so.8 [...]0.030.40.02250.220.1330.56
○mkl_dft_def_owns_cRadix4FwdNorm_32fclibmkl_def.so3.323.281.891281.150.66Math (%): 100.0037.46
○mkl_dft_def_owns_cRealRecombine_32flibmkl_def.so2.182.351.241280.740.42Math (%): 100.0068.89
►gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)+libgromacs.so.81.991.871.131280.680.38libgromacs.so.8 (%): 100.001339.24clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 16009 - pme_gather.cpp:94-348 - libgromacs.so.8 [...]+0.520.670.291280.240.141635.75
○Loop 16008 - pme_gather.cpp:156-156 - libgromacs.so.8 [...]1.481.440.841280.520.301236.66
○Loop 16014 - pme_gather.cpp:247-251 - libgromacs.so.8 [...]00000.000.000.00
►Loop 16011 - pme_gather.cpp:103-323 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 16012 - pme_gather.cpp:103-323 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 16013 - pme_gather.cpp:116-120 - libgromacs.so.800000.000.000.00
○Loop 16010 - pme_gather.cpp:116-120 - libgromacs.so.800000.000.000.00
►__intel_avx_rep_memcpy+gmx1.92.081.081280.880.50Memory (%): 100.0013.55
○Loop 92 - - gmx0.961.10.541280.490.2814.19
○Loop 91 - - gmx00.04010.000.000.00
►nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)+libgromacs.so.81.771.321.011280.220.12libgromacs.so.8 (%): 100.009003.92clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 607 - kernel_outer.h:222-506 - libgromacs.so.8 [...]+0.030.050.021280.020.018834.41
○Loop 612 - kernel_outer.h:431-431 - libgromacs.so.8 [...]1.131.020.641280.370.219156.69
○Loop 610 - kernel_outer.h:452-452 - libgromacs.so.8 [...]0.460.780.261280.380.228955.51
○Loop 613 - impl_x86_avx_256_simd_float.h:96-406 - libgromacs.so.8 [...]0.060.080.041280.030.028327.59
○Loop 611 - simd_diagonal_masker.h:104-169 - libgromacs.so.8 [...]0.050.10.031280.050.039091.90
○Loop 608 - kernel_outer.h:473-473 - libgromacs.so.8 [...]0.030.050.021180.020.015434.00
○Loop 609 - kernel_outer.h:465-468 - libgromacs.so.8 [...]00.0101130.010.000.00
►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted]+libgromacs.so.81.531.620.871280.660.37libgromacs.so.8 (%): 100.006.80clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 16257 - pme_spread.cpp:477-1011 - libgromacs.so.8 [...]+00.010150.000.000.00
►Loop 16258 - pme_spread.cpp:538-702 - libgromacs.so.8 [...]+000130.000.000.00
►Loop 16259 - pme_spread.cpp:556-702 - libgromacs.so.8 [...]+00.010330.000.000.00
►Loop 16260 - pme_spread.cpp:574-702 - libgromacs.so.8 [...]+0.010.030660.010.010.00
►Loop 16261 - pme_spread.cpp:633-641 - libgromacs.so.8+0.020.050.011090.020.016.00
►Loop 16263 - pme_spread.cpp:635-641 - libgromacs.so.8+0.040.060.021240.030.019.31
○Loop 16262 - pme_spread.cpp:639-641 - libgromacs.so.80.91.370.511280.520.295.30
○Loop 16264 - pme_spread.cpp:639-641 - libgromacs.so.80.570.750.321280.340.199.13
○Loop 16265 - pme_spread.cpp:639-641 - libgromacs.so.800000.000.000.00
►Loop 16273 - pme_spread.cpp:635-695 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 16274 - pme_spread.cpp:685-695 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 16275 - pme_spread.cpp:693-695 - libgromacs.so.800000.000.000.00
►Loop 16270 - pme_spread.cpp:635-695 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 16272 - pme_spread.cpp:685-695 - libgromacs.so.8 [...]00000.000.000.00
○Loop 16271 - pme_spread.cpp:685-695 - libgromacs.so.8 [...]00000.000.000.00
►Loop 16276 - pme_spread.cpp:635-702 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 16277 - pme_spread.cpp:685-702 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 16278 - pme_spread.cpp:700-702 - libgromacs.so.800000.000.000.00
○Loop 16279 - pme_spread.cpp:700-702 - libgromacs.so.800000.000.000.00
►Loop 16266 - pme_spread.cpp:635-695 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 16268 - pme_spread.cpp:685-695 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 16267 - pme_spread.cpp:693-695 - libgromacs.so.800000.000.000.00
○Loop 16269 - pme_spread.cpp:693-695 - libgromacs.so.800000.000.000.00
►Loop 16280 - pme_spread.cpp:635-702 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 16281 - pme_spread.cpp:685-702 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 16282 - pme_spread.cpp:700-702 - libgromacs.so.800000.000.000.00
►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]+libgromacs.so.81.511.580.861280.470.27libgromacs.so.8 (%): 100.00584.20clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 16283 - pme_spread.cpp:188-988 - libgromacs.so.8 [...]+0.010.040.011230.010.0157.50
►Loop 16294 - pme_spread.cpp:358-400 - libgromacs.so.8 [...]+0.760.850.431280.270.15831.41
○Loop 16300 - pme_simd4.h:138-148 - libgromacs.so.8 [...]00000.000.000.00
►Loop 16296 - pme_spread.cpp:400-400 - libgromacs.so.8+00000.000.000.00
►Loop 16297 - pme_spread.cpp:400-400 - libgromacs.so.8+00000.000.000.00
○Loop 16299 - pme_spread.cpp:400-400 - libgromacs.so.800000.000.000.00
○Loop 16295 - pme_spread.cpp:400-400 - libgromacs.so.800000.000.000.00
○Loop 16298 - pme_spread.cpp:400-400 - libgromacs.so.800000.000.000.00
►Loop 16301 - pme_spread.cpp:277-975 - libgromacs.so.8 [...]+0.520.720.31280.240.14480.58
►Loop 16302 - pme_spread.cpp:292-292 - libgromacs.so.8+00000.000.000.00
○Loop 16304 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.000.00
○Loop 16303 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.000.00
►Loop 16306 - pme_spread.cpp:292-292 - libgromacs.so.8+00000.000.000.00
○Loop 16305 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.000.00
►Loop 16307 - pme_spread.cpp:188-199 - libgromacs.so.8 [...]+0.110.130.071280.040.020.00
○Loop 16309 - pme_spread.cpp:197-199 - libgromacs.so.80.060.090.041270.030.020.00
○Loop 16308 - pme_spread.cpp:197-199 - libgromacs.so.80.010.010640.010.000.00
►Loop 16288 - pme_spread.cpp:439-447 - libgromacs.so.8 [...]+0.010.040.01890.010.013.00
○Loop 16290 - pme_spread.cpp:441-447 - libgromacs.so.8 [...]0.020.070.011130.020.0112.88
○Loop 16289 - pme_spread.cpp:441-447 - libgromacs.so.8 [...]00000.000.000.00
►Loop 16284 - pme_spread.cpp:439-447 - libgromacs.so.8+00000.000.000.00
►Loop 16286 - pme_spread.cpp:441-447 - libgromacs.so.8+00000.000.000.00
○Loop 16285 - pme_spread.cpp:445-447 - libgromacs.so.800000.000.000.00
○Loop 16287 - pme_spread.cpp:445-447 - libgromacs.so.800000.000.000.00
►Loop 16291 - pme_spread.cpp:439-447 - libgromacs.so.8+00000.000.000.00
►Loop 16292 - pme_spread.cpp:441-447 - libgromacs.so.8+00000.000.000.00
○Loop 16293 - pme_spread.cpp:445-447 - libgromacs.so.800000.000.000.00
►gmx::lincs_matrix_expand(gmx::Lincs const&, (anonymous namespace)::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)+libgromacs.so.81.391.330.791280.520.30libgromacs.so.8 (%): 100.0055.29clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 14190 - lincs.cpp:328-330 - libgromacs.so.800000.000.000.00
○Loop 14191 - lincs.cpp:328-328 - libgromacs.so.800000.000.000.00
►Loop 14196 - lincs.cpp:278-295 - libgromacs.so.8 [...]+00.010430.010.000.00
►Loop 14197 - lincs.cpp:278-295 - libgromacs.so.8 [...]+0.40.480.231280.150.0973.26
○Loop 14198 - lincs.cpp:290-292 - libgromacs.so.80.620.920.351280.300.1747.33
○Loop 14199 - lincs.cpp:290-292 - libgromacs.so.8 [...]0.360.540.211270.260.1547.92
►Loop 14192 - lincs.cpp:278-348 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 14193 - lincs.cpp:278-348 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 14194 - lincs.cpp:340-344 - libgromacs.so.800000.000.000.00
○Loop 14195 - lincs.cpp:340-344 - libgromacs.so.800000.000.000.00
○mkl_dft_def_ownscDftInv_Prime8_32fclibmkl_def.so1.261.150.721280.290.16Math (%): 100.00251.32
►copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)+libgromacs.so.81.171.830.66890.610.35libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 1871 - atomdata.cpp:226-233 - libgromacs.so.81.161.820.66870.560.320.00
○Loop 1876 - atomdata.cpp:161-163 - libgromacs.so.800000.000.000.00
○Loop 1877 - atomdata.cpp:154-158 - libgromacs.so.800000.000.000.00
○Loop 1872 - atomdata.cpp:207-214 - libgromacs.so.800000.000.000.00
○Loop 1869 - atomdata.cpp:240-247 - libgromacs.so.800000.000.000.00
○Loop 1874 - atomdata.cpp:193-200 - libgromacs.so.800000.000.000.00
○Loop 1870 - atomdata.cpp:240-247 - libgromacs.so.800000.000.000.00
○Loop 1867 - atomdata.cpp:180-184 - libgromacs.so.800000.000.000.00
○Loop 1868 - atomdata.cpp:172-176 - libgromacs.so.800000.000.000.00
○Loop 1873 - atomdata.cpp:207-214 - libgromacs.so.800000.000.000.00
○Loop 1875 - atomdata.cpp:161-163 - libgromacs.so.800000.000.000.00
○mkl_dft_def_ownscDftInv_Fact4_32fclibmkl_def.so1.151.040.651280.260.15Math (%): 100.00124.14
►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.18]+libgromacs.so.81.121.220.641280.400.23libgromacs.so.8 (%): 100.0070.21clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 16310 - stl_uninitialized.h:318-687 - libgromacs.so.8 [...]+0.010.020.011100.010.015.50
○Loop 16320 - pme_spread.cpp:104-145 - libgromacs.so.8 [...]0.951.110.541280.370.2181.03
○Loop 16312 - pme_spread.cpp:172-174 - libgromacs.so.80.160.190.091280.060.0310.67
○Loop 16318 - pme_spread.cpp:154-156 - libgromacs.so.800.010610.010.000.00
○Loop 16313 - pme_spread.cpp:165-167 - libgromacs.so.800090.000.000.00
○Loop 16322 - pme_spread.cpp:96-98 - libgromacs.so.800000.000.000.00
○Loop 16317 - stl_uninitialized.h:318-318 - libgromacs.so.8 [...]00000.000.000.00
○Loop 16321 - pme_spread.cpp:96-98 - libgromacs.so.800000.000.000.00
○Loop 16315 - stl_iterator.h:1603-1603 - libgromacs.so.8 [...]00000.000.000.00
○Loop 16319 - pme_spread.cpp:104-133 - libgromacs.so.8 [...]00000.000.000.00
○Loop 16314 - pme_spread.cpp:165-167 - libgromacs.so.800.010450.000.000.00
○Loop 16311 - pme_spread.cpp:172-174 - libgromacs.so.800020.000.000.00
○Loop 16323 - pme_spread.cpp:96-98 - libgromacs.so.800000.000.000.00
○Loop 16316 - stl_uninitialized.h:318-318 - libgromacs.so.8 [...]00000.000.000.00
►void gmx::settleTemplateWrapper<gmx::SimdFloat, gmx::SimdFBool, 8, float const*>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, bool, float (*) [3], bool*)+libgromacs.so.80.971.150.551280.340.20libgromacs.so.8 (%): 100.00351.28clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 14469 - settle.cpp:425-425 - libgromacs.so.8 [...]0.871.020.51280.310.18340.85
○Loop 14470 - settle.cpp:425-425 - libgromacs.so.8 [...]0.10.130.061280.040.03375.34
○Loop 14467 - settle.cpp:425-425 - libgromacs.so.8 [...]00010.000.000.00
○Loop 14468 - settle.cpp:425-425 - libgromacs.so.8 [...]00000.000.000.00
○kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check()libiomp5.so0.90.890.511280.320.18OMP (%): 100.006.68
►__intel_avx_rep_memset+gmx0.810.990.461280.400.23Memory (%): 100.004.42
○Loop 93 - - gmx0.10.110.061280.030.020.00
○_ZN17_INTERNAL1311483b26__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0libiomp5.so0.7615.170.431282.561.45OMP (%): 100.0055.61
►gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) [clone .extracted]+libgromacs.so.80.740.680.421280.190.11libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 14619 - update.cpp:1660-1664 - libgromacs.so.8 [...]0.740.680.421280.190.110.00
○Loop 14618 - update.cpp:1660-1664 - libgromacs.so.8 [...]00050.000.000.00
►gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVe...+libgromacs.so.80.580.550.331280.170.10libgromacs.so.8 (%): 100.00114.61clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 14603 - update.cpp:486-486 - libgromacs.so.8 [...]0.540.530.311280.170.10101.23
○Loop 14607 - update.cpp:367-393 - libgromacs.so.8 [...]0.030.040.021280.020.01320.50
○Loop 14606 - update.cpp:367-393 - libgromacs.so.8 [...]00000.000.000.00
►Loop 14612 - update.cpp:1312-1353 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 14613 - update.cpp:1312-1353 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14605 - update.cpp:367-393 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14602 - update.cpp:595-659 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14609 - update.cpp:367-393 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14614 - update.cpp:1130-1191 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14617 - update.cpp:881-902 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14600 - exception_ptr.h:195-196 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14611 - update.cpp:595-659 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14610 - update.cpp:367-393 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14615 - update.cpp:1130-1191 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14608 - update.cpp:486-486 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14604 - update.cpp:367-393 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14599 - exception_ptr.h:195-196 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14601 - update.cpp:595-659 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14616 - update.cpp:937-953 - libgromacs.so.8 [...]00000.000.000.00
►gmx::lincs_update_atoms_ind(gmx::ArrayRef<int const>, gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, flo...+libgromacs.so.80.580.740.331280.190.11libgromacs.so.8 (%): 100.00145.45clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 14203 - lincs.cpp:425-440 - libgromacs.so.8 [...]0.580.740.331280.190.11145.41
○Loop 14202 - lincs.cpp:445-458 - libgromacs.so.8 [...]00000.000.000.00
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*...+libgromacs.so.80.480.520.271280.210.12libgromacs.so.8 (%): 100.00481.93clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 15641 - bonded.cpp:1151-1170 - libgromacs.so.8 [...]0.480.520.271280.210.12481.91
►PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.67]+libgromacs.so.80.450.360.261280.070.04libgromacs.so.8 (%): 100.00557.73clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 3480 - vector.tcc:617-680 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 3478 - pairlist.cpp:162-4119 - libgromacs.so.8 [...]+00.0101280.010.000.00
►Loop 3477 - stl_vector.h:919-1798 - libgromacs.so.8 [...]+0.010.0201280.010.000.00
►Loop 3485 - pairlist.cpp:1330-1430 - libgromacs.so.8 [...]+0.010.0101280.010.000.00
►Loop 3486 - pairlist.cpp:1330-1430 - libgromacs.so.8 [...]+0.030.050.021280.020.01606.51
○Loop 3487 - pairlist.cpp:1341-1351 - libgromacs.so.8 [...]0.010.0201280.010.000.00
○Loop 3506 - pairlist.cpp:282-286 - libgromacs.so.800.0101070.000.000.00
○Loop 3505 - pairlist.cpp:289-293 - libgromacs.so.800.0101250.010.000.00
►Loop 3489 - pairlist.cpp:162-4097 - libgromacs.so.8 [...]+00.0101280.010.000.00
►Loop 3490 - pairlist_simd_4xm.h:136-273 - libgromacs.so.8 [...]+0.080.090.051280.030.01534.06
○Loop 3497 - pairlist_simd_4xm.h:136-193 - libgromacs.so.8 [...]0.130.140.071280.040.02582.63
○Loop 3503 - pairlist.cpp:3520-3522 - libgromacs.so.80.070.070.041280.030.01502.57
○Loop 3496 - pairlist_simd_4xm.h:204-260 - libgromacs.so.8 [...]0.040.060.021280.020.01638.38
○Loop 3504 - pairlist.cpp:3505-3507 - libgromacs.so.80.020.030.011280.010.01492.26
○Loop 3495 - pairlist.cpp:162-963 - libgromacs.so.8 [...]0.020.020.011280.010.01486.13
○Loop 3491 - pairlist.cpp:3115-3115 - libgromacs.so.8 [...]00000.000.000.00
►Loop 3501 - pairlist.cpp:1012-1046 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3502 - pairlist.cpp:1029-1041 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3494 - pairlist_simd_2xmm.h:130-174 - libgromacs.so.8 [...]00000.000.000.00
►Loop 3499 - pairlist.cpp:1057-1091 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3500 - pairlist.cpp:1074-1086 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3493 - pairlist_simd_2xmm.h:185-229 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3498 - stl_vector.h:1189-1198 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3492 - stl_vector.h:1189-1198 - libgromacs.so.8 [...]00000.000.000.00
►Loop 3482 - stl_vector.h:919-1798 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 3483 - pairlist.cpp:1442-1733 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3484 - pairlist.cpp:1442-1733 - libgromacs.so.8 [...]00000.000.000.00
►Loop 3476 - pairlist.cpp:194-4119 - libgromacs.so.8 [...]+00.0101280.010.000.00
►Loop 3475 - pairlist.cpp:194-4119 - libgromacs.so.8 [...]+00.0101220.000.000.00
►Loop 3474 - pairlist.cpp:233-4119 - libgromacs.so.8 [...]+000430.000.000.00
►Loop 3473 - pairlist.cpp:233-4119 - libgromacs.so.8 [...]+00.0101100.000.000.00
○Loop 3472 - pairlist.cpp:2885-2888 - libgromacs.so.8 [...]00.010130.010.000.00
►Loop 3471 - pairlist.cpp:233-4119 - libgromacs.so.8 [...]+00.01050.010.010.00
○Loop 3511 - pairlist.cpp:2998-2998 - libgromacs.so.800000.000.000.00
►Loop 3434 - pairlist.cpp:233-4119 - libgromacs.so.8 [...]+00050.000.000.00
○Loop 3470 - pairlist.cpp:268-3242 - libgromacs.so.8 [...]00000.000.000.00
►Loop 3436 - pairlist.cpp:240-4119 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3435 - pairlist.cpp:2885-2888 - libgromacs.so.8 [...]00000.000.000.00
►Loop 3437 - pairlist.cpp:240-4119 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 3438 - pairlist.cpp:240-4119 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3468 - pairlist.cpp:291-293 - libgromacs.so.800000.000.000.00
○Loop 3469 - pairlist.cpp:282-286 - libgromacs.so.800000.000.000.00
►Loop 3439 - pairlist.cpp:240-4119 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3440 - pairlist.cpp:2450-2461 - libgromacs.so.8 [...]00000.000.000.00
►Loop 3447 - pairlist.cpp:894-2039 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 3448 - pairlist.cpp:894-2039 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3449 - pairlist.cpp:1341-1351 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3450 - pairlist.cpp:1279-1282 - libgromacs.so.8 [...]00000.000.000.00
►Loop 3451 - pairlist.cpp:240-4059 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 3452 - pairlist.cpp:240-4059 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3462 - pairlist.cpp:3520-3522 - libgromacs.so.800000.000.000.00
►Loop 3453 - pairlist.cpp:240-4059 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 3454 - pairlist.cpp:240-4059 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3461 - pairlist.cpp:560-613 - libgromacs.so.8 [...]00000.000.000.00
►Loop 3459 - pairlist.cpp:929-4059 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3455 - pairlist.cpp:931-933 - libgromacs.so.800000.000.000.00
○Loop 3460 - pairlist.cpp:931-933 - libgromacs.so.800000.000.000.00
►Loop 3457 - pairlist.cpp:929-4059 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3456 - pairlist.cpp:931-933 - libgromacs.so.800000.000.000.00
○Loop 3458 - pairlist.cpp:931-933 - libgromacs.so.800000.000.000.00
○Loop 3463 - pairlist.cpp:3505-3507 - libgromacs.so.800000.000.000.00
○Loop 3467 - pairlist.cpp:282-286 - libgromacs.so.800000.000.000.00
○Loop 3466 - pairlist.cpp:289-293 - libgromacs.so.800000.000.000.00
►Loop 3442 - pairlist.cpp:894-1937 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 3443 - pairlist.cpp:894-1937 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 3444 - pairlist.cpp:894-1919 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 3445 - grid.h:239-295 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3446 - pairlist.cpp:894-1919 - libgromacs.so.8 [...]00000.000.000.00
►Loop 3465 - pairlist.cpp:2450-2461 - libgromacs.so.8+00000.000.000.00
○Loop 3464 - pairlist.cpp:2454-2461 - libgromacs.so.800000.000.000.00
○Loop 3441 - pairlist.cpp:931-2216 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3509 - pairlist.cpp:268-3242 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3510 - pairlist.cpp:2998-2998 - libgromacs.so.800000.000.000.00
○Loop 3507 - pairlist.cpp:291-293 - libgromacs.so.800.0101240.000.000.00
○Loop 3508 - pairlist.cpp:282-286 - libgromacs.so.800.0101250.000.000.00
○Loop 3488 - pairlist.cpp:1279-1282 - libgromacs.so.8000980.000.000.00
○Loop 3515 - pairlist.cpp:2092-2096 - libgromacs.so.8 [...]0.010.0101280.010.000.00
○Loop 3514 - pairlist.cpp:2092-2096 - libgromacs.so.8 [...]000610.000.000.00
○Loop 3479 - stl_algobase.h:911-912 - libgromacs.so.8000600.000.000.00
○Loop 3513 - pairlist.cpp:2099-2101 - libgromacs.so.800000.000.000.00
○Loop 3516 - pairlist.cpp:2082-2086 - libgromacs.so.8 [...]000810.000.000.00
○Loop 3517 - pairlist.cpp:2082-2086 - libgromacs.so.8 [...]00.0101280.010.000.00
○Loop 3512 - pairlist.cpp:2099-2101 - libgromacs.so.800.0101000.000.000.00
○Loop 3481 - stl_algobase.h:911-912 - libgromacs.so.800000.000.000.00
►gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...+libgromacs.so.80.370.380.211280.090.05libgromacs.so.8 (%): 100.00314.30clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 14189 - lincs.cpp:845-857 - libgromacs.so.8 [...]0.160.160.091280.050.03382.94
○Loop 14179 - lincs.cpp:1243-1245 - libgromacs.so.800000.000.000.00
○Loop 14186 - lincs.cpp:1146-1146 - libgromacs.so.8 [...]00.010710.000.000.00
○Loop 14177 - lincs.cpp:1252-1257 - libgromacs.so.800000.000.000.00
○Loop 14185 - lincs.cpp:1146-1146 - libgromacs.so.8 [...]000300.000.000.00
○Loop 14180 - lincs.cpp:1243-1245 - libgromacs.so.800.010240.010.000.00
○Loop 14176 - lincs.cpp:1265-1273 - libgromacs.so.800.0101280.000.000.00
►Loop 14181 - lincs.cpp:845-1223 - libgromacs.so.8 [...]+00.010610.010.000.00
○Loop 14184 - lincs.cpp:966-978 - libgromacs.so.8 [...]0.070.10.041280.030.02449.44
○Loop 14183 - lincs.cpp:1205-1205 - libgromacs.so.8 [...]0.010.030.011250.010.0169.00
○Loop 14182 - lincs.cpp:1205-1205 - libgromacs.so.8 [...]00.010420.000.000.00
►Loop 14187 - lincs.cpp:1133-1137 - libgromacs.so.8 [...]+00.0201260.010.000.00
○Loop 14188 - lincs.cpp:1135-1137 - libgromacs.so.8 [...]0.110.130.061280.040.02186.44
○Loop 14178 - lincs.cpp:1252-1257 - libgromacs.so.800000.000.000.00
○_INTERNAL1311483b::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*)libiomp5.so0.359.210.21281.470.84OMP (%): 100.0071.45
►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.so.80.320.350.181280.110.06libgromacs.so.8 (%): 100.0078.28clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 4839 - threaded_force_buffer.cpp:170-211 - libgromacs.so.8 [...]+0.010.020910.010.000.00
○Loop 4845 - threaded_force_buffer.cpp:182-186 - libgromacs.so.8 [...]0.040.040.021280.020.0184.81
►Loop 4840 - threaded_force_buffer.cpp:207-211 - libgromacs.so.8 [...]+0.020.050.011270.020.01120.75
○Loop 4842 - threaded_force_buffer.cpp:209-211 - libgromacs.so.8 [...]0.130.250.071270.090.0590.59
○Loop 4841 - threaded_force_buffer.cpp:209-211 - libgromacs.so.8 [...]0.110.20.061280.070.0475.73
○Loop 4844 - threaded_force_buffer.cpp:182-186 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4843 - threaded_force_buffer.cpp:200-200 - libgromacs.so.8 [...]00.010770.010.000.00
►nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+libgromacs.so.80.30.280.171280.070.04libgromacs.so.8 (%): 100.005238.78clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 1132 - kernel_prune.cpp:76-176 - libgromacs.so.8 [...]+0.010.0201280.010.010.00
○Loop 1133 - kernel_prune.cpp:115-167 - libgromacs.so.8 [...]0.290.270.171280.070.045124.60
►gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+libgromacs.so.80.270.450.151280.160.09libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 4901 - threaded_force_buffer.cpp:78-78 - libgromacs.so.8 [...]0.250.450.141280.150.090.00
○Loop 4900 - threaded_force_buffer.cpp:78-78 - libgromacs.so.8 [...]0.010.030.01850.010.010.00
○Loop 4890 - threaded_force_buffer.cpp:92-94 - libgromacs.so.800040.000.000.00
○Loop 4895 - threaded_force_buffer.cpp:92-94 - libgromacs.so.800000.000.000.00
○Loop 4899 - threaded_force_buffer.cpp:92-94 - libgromacs.so.800000.000.000.00
○Loop 4897 - threaded_force_buffer.cpp:92-94 - libgromacs.so.800000.000.000.00
○Loop 4893 - threaded_force_buffer.cpp:92-94 - libgromacs.so.800000.000.000.00
○Loop 4896 - threaded_force_buffer.cpp:92-94 - libgromacs.so.800000.000.000.00
○Loop 4898 - threaded_force_buffer.cpp:92-94 - libgromacs.so.800000.000.000.00
○Loop 4894 - threaded_force_buffer.cpp:92-94 - libgromacs.so.800.01070.000.000.00
○Loop 4891 - threaded_force_buffer.cpp:92-94 - libgromacs.so.800000.000.000.00
○Loop 4892 - threaded_force_buffer.cpp:92-94 - libgromacs.so.800010.000.000.00
►unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted]+libgromacs.so.80.20.330.12960.160.09libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 16083 - pme_grid.cpp:529-539 - libgromacs.so.8+00010.000.000.00
►Loop 16084 - pme_grid.cpp:535-539 - libgromacs.so.8+000120.000.000.00
○Loop 16085 - pme_grid.cpp:537-539 - libgromacs.so.80.20.330.11950.160.090.00
○Loop 16086 - pme_grid.cpp:537-539 - libgromacs.so.800000.000.000.00
○Unknown functionlibgromacs.so.80.180.260.11280.090.05libgromacs.so.8 (%): 100.0014.23
○mkl_dft_def_ownscDftFwd_Prime8_32fclibmkl_def.so0.160.230.091280.070.04Math (%): 100.001174.86
○_INTERNAL1311483b::__kmp_hyper_barrier_release(barrier_type, kmp_info*, int, int, int, void*)libiomp5.so0.140.350.081280.090.05OMP (%): 100.0011.22
►solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs.so.80.130.150.071280.040.02libgromacs.so.8 (%): 100.005275.79clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 16173 - pme_solve.cpp:233-560 - libgromacs.so.8 [...]+0.020.030.011280.010.015007.56
○Loop 16177 - pme_solve.cpp:233-233 - libgromacs.so.8 [...]0.040.050.021280.020.016453.39
○Loop 16183 - pme_solve.cpp:498-510 - libgromacs.so.80.010.0101280.010.000.00
○Loop 16181 - pme_solve.cpp:521-530 - libgromacs.so.80.010.030.011280.010.014671.31
○Loop 16193 - pme_solve.cpp:440-453 - libgromacs.so.80.010.0201280.010.010.00
○Loop 16192 - pme_solve.cpp:456-469 - libgromacs.so.80.010.020.011280.010.011255.39
○Loop 16179 - pme_solve.cpp:533-542 - libgromacs.so.80.010.020.011280.010.003717.79
○Loop 16174 - pme_solve.cpp:554-559 - libgromacs.so.80.010.030.011280.010.014209.30
○Loop 16176 - pme_solve.cpp:233-233 - libgromacs.so.8 [...]00000.000.000.00
○Loop 16185 - pme_solve.cpp:485-495 - libgromacs.so.800.0101280.000.000.00
○Loop 16190 - pme_solve.cpp:472-474 - libgromacs.so.800.0101280.000.000.00
○Loop 16191 - pme_solve.cpp:472-474 - libgromacs.so.800000.000.000.00
○Loop 16184 - pme_solve.cpp:485-495 - libgromacs.so.800000.000.000.00
○Loop 16178 - pme_solve.cpp:533-542 - libgromacs.so.800000.000.000.00
○Loop 16189 - pme_solve.cpp:472-474 - libgromacs.so.800000.000.000.00
○Loop 16175 - pme_solve.cpp:554-560 - libgromacs.so.800000.000.000.00
○Loop 16187 - pme_solve.cpp:233-233 - libgromacs.so.8 [...]00.0101280.010.000.00
○Loop 16186 - pme_solve.cpp:233-233 - libgromacs.so.8 [...]00000.000.000.00
○Loop 16188 - pme_solve.cpp:472-474 - libgromacs.so.800000.000.000.00
○Loop 16180 - pme_solve.cpp:521-530 - libgromacs.so.800000.000.000.00
○Loop 16182 - pme_solve.cpp:485-495 - libgromacs.so.800000.000.000.00
○(anonymous namespace)::dih_angle_simd(float const (*) [3], int const*, int const*, int const*, int const*, float const*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*,...libgromacs.so.80.120.120.071280.040.02libgromacs.so.8 (%): 100.002359.46clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○mkl_dft_def_owns_cRadix4InvNorm_32fclibmkl_def.so0.110.280.061280.060.03Math (%): 100.001338.72
○void __kmp_dispatch_deo<unsigned int>(int*, int*, ident*)libiomp5.so0.110.070.071270.010.01OMP (%): 100.000.00
►unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted.30]+libgromacs.so.80.10.150.051020.070.04libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 16087 - pme_grid.cpp:512-522 - libgromacs.so.8+00.01020.010.000.00
►Loop 16088 - pme_grid.cpp:518-522 - libgromacs.so.8+00.01030.010.000.00
○Loop 16090 - pme_grid.cpp:520-522 - libgromacs.so.80.090.150.05990.070.040.00
○Loop 16089 - pme_grid.cpp:520-522 - libgromacs.so.800000.000.000.00
○__GI___sched_yieldlibc-2.28.so0.090.110.051280.040.02System (%): 100.000.00
►void do_pairs_simple<gmx::SimdFloat, 8, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float const>, float)+libgromacs.so.80.080.090.051280.030.02libgromacs.so.8 (%): 100.001277.84clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 15873 - pairs.cpp:863-884 - libgromacs.so.8 [...]0.080.090.051280.030.021277.52
►pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*)+libgromacs.so.80.070.090.041280.030.02libgromacs.so.8 (%): 100.00488.41clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 5152 - pbc.cpp:911-915 - libgromacs.so.8 [...]00000.000.000.00
○Loop 5153 - pbc.cpp:872-874 - libgromacs.so.800070.000.000.00
○Loop 5164 - pbc.cpp:951-953 - libgromacs.so.800000.000.000.00
○Loop 5161 - pbc.cpp:959-961 - libgromacs.so.800000.000.000.00
○Loop 5155 - pbc.cpp:872-874 - libgromacs.so.800000.000.000.00
○Loop 5162 - pbc.cpp:951-953 - libgromacs.so.800000.000.000.00
►Loop 5157 - pbc.cpp:835-1018 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 5160 - pbc.cpp:1005-1009 - libgromacs.so.800000.000.000.00
○Loop 5158 - pbc.cpp:1005-1009 - libgromacs.so.800000.000.000.00
○Loop 5159 - pbc.cpp:1005-1009 - libgromacs.so.800000.000.000.00
○Loop 5154 - pbc.cpp:864-866 - libgromacs.so.8000110.000.000.00
○Loop 5163 - pbc.cpp:959-961 - libgromacs.so.800000.000.000.00
○Loop 5156 - pbc.cpp:864-866 - libgromacs.so.800000.000.000.00
○mkl_dft_def_ownscDftFwd_Fact3_32fclibmkl_def.so0.070.090.041280.030.02Math (%): 100.001678.68
○mkl_dft_def_ownscDftFwd_Fact4_32fclibmkl_def.so0.070.160.041280.050.03Math (%): 100.001279.83
○_ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@296libgromacs.so.80.060.070.031280.030.02libgromacs.so.8 (%): 100.002516.11clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○mkl_dft_def_owns_cCcsRecombine_32flibmkl_def.so0.060.350.041280.060.04Math (%): 100.001011.04
○mkl_dft_def_ownscDftInv_Fact3_32fclibmkl_def.so0.060.080.041280.030.01Math (%): 100.00780.98
○mkl_dft_def_ownscDftInv_Fact4_32fc@pltlibmkl_def.so0.060.130.031280.050.03Math (%): 100.00135.08
►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.so.80.050.070.031280.030.02libgromacs.so.8 (%): 100.00337.21clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 14257 - md_support.cpp:113-157 - libgromacs.so.8 [...]+00.010200.000.000.00
○Loop 14258 - md_support.cpp:139-157 - libgromacs.so.8 [...]0.050.070.031280.030.02337.17
►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.so.80.050.060.031280.020.01libgromacs.so.8 (%): 100.002549.20clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 15650 - bonded.cpp:2066-2126 - libgromacs.so.8 [...]0.050.060.031280.020.012543.86
►reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone .extracted]+libgromacs.so.80.040.060.021280.020.01libgromacs.so.8 (%): 100.00142.06clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 1926 - atomdata.cpp:1118-1237 - libgromacs.so.8 [...]+00080.000.000.00
○Loop 1929 - atomdata.cpp:1142-1148 - libgromacs.so.8 [...]0.040.060.021280.020.01141.50
○Loop 1928 - atomdata.cpp:1132-1138 - libgromacs.so.8 [...]00000.000.000.00
○Loop 1927 - atomdata.cpp:1122-1128 - libgromacs.so.800000.000.000.00
►gmx::ThreadForceBuffer<float [4]>::resizeBufferAndClearMask(int)+libgromacs.so.80.040.060.021140.030.02libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 4888 - threaded_force_buffer.cpp:122-122 - libgromacs.so.8 [...]0.040.060.021140.030.020.00
►std::vector<std::array<unsigned long, 2ul>, std::allocator<std::array<unsigned long, 2ul> > >::_M_fill_insert(__gnu_cxx::__normal_iterator<std::array<unsigned long, 2ul>*, std::vector<std::array<unsigned long, 2ul>...+libgromacs.so.80.040.080.021250.020.01libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 3548 - stl_algobase.h:911-912 - libgromacs.so.80.040.080.021240.020.010.00
○Loop 3546 - stl_algobase.h:911-912 - libgromacs.so.800000.000.000.00
○Loop 3552 - stl_algobase.h:911-912 - libgromacs.so.800080.000.000.00
○Loop 3547 - stl_algobase.h:911-912 - libgromacs.so.800000.000.000.00
○Loop 3551 - stl_algobase.h:911-912 - libgromacs.so.800000.000.000.00
○Loop 3550 - stl_algobase.h:911-912 - libgromacs.so.800000.000.000.00
○Loop 3545 - stl_algobase.h:911-912 - libgromacs.so.800000.000.000.00
○Loop 3549 - stl_algobase.h:911-912 - libgromacs.so.800000.000.000.00
►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted]+libgromacs.so.80.030.040.011210.010.01libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 15831 - manage_threading.cpp:336-397 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 15833 - manage_threading.cpp:351-367 - libgromacs.so.8 [...]+000100.000.000.00
►Loop 15834 - manage_threading.cpp:363-367 - libgromacs.so.8 [...]+00090.000.000.00
○Loop 15836 - manage_threading.cpp:365-367 - libgromacs.so.8 [...]0.010.030.01910.010.000.00
○Loop 15835 - manage_threading.cpp:365-367 - libgromacs.so.8 [...]0.010.030.011020.010.010.00
○Loop 15832 - utilities.h:57-57 - libgromacs.so.8 [...]00010.000.000.00
○__kmp_yieldlibiomp5.so0.030.050.021180.020.01OMP (%): 100.000.00
○__kmp_invoke_microtasklibiomp5.so0.030.050.021270.020.01OMP (%): 100.0025.25
►gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) [clone .extracted]+libgromacs.so.80.030.050.021220.020.01libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 14204 - lincs.cpp:1986-2260 - libgromacs.so.8 [...]+000150.000.000.00
►Loop 14205 - lincs.cpp:1986-2260 - libgromacs.so.8 [...]+0.010.030.01880.010.010.00
○Loop 14214 - lincs.cpp:1992-1997 - libgromacs.so.8 [...]0.010.020.01790.010.000.00
○Loop 14213 - lincs.cpp:2000-2005 - libgromacs.so.8 [...]00.010190.000.000.00
○Loop 14215 - lincs.cpp:1992-1997 - libgromacs.so.8 [...]00.010330.000.000.00
►Loop 14208 - stl_algo.h:1803-1846 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 14209 - stl_algo.h:1806-1808 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14212 - lincs.cpp:2000-2005 - libgromacs.so.8 [...]00.020250.010.000.00
►Loop 14206 - stl_algobase.h:741-742 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 14207 - stl_algo.h:1806-1808 - libgromacs.so.8 [...]00000.000.000.00
►Loop 14210 - stl_algo.h:1806-1826 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 14211 - stl_algo.h:1806-1808 - libgromacs.so.8 [...]00000.000.000.00
○__libm_atan2f_l9gmx0.030.040.011280.020.01Math (%): 100.00759.76
○__kmp_launch_threadlibiomp5.so0.030.060.021170.020.01OMP (%): 100.003.63
○__kmp_join_barrier(int)libiomp5.so0.030.050.011280.020.01OMP (%): 100.001054.01
○kmp_flag_native<unsigned long long, (flag_type)1, true>::done_check()libiomp5.so0.020.190.011280.060.03OMP (%): 100.00346.88
○mkl_dft_def_ippsFFTFwd_RToPerm_32flibmkl_def.so0.020.120.01960.040.02Math (%): 100.0060.63
○evaluate_single(float, float, float const*, float, float, float, float, float*, float*)libgromacs.so.80.020.040.011280.010.01libgromacs.so.8 (%): 100.00617.13clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*)libgromacs.so.80.020.050.011280.020.01libgromacs.so.8 (%): 100.00503.38clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○__kmpc_maskedlibiomp5.so0.020.030.011080.010.01OMP (%): 100.000.00
○mkl_dft_def_ownscDftFwd_PrimeFact_32fclibmkl_def.so0.020.030.011280.010.01Math (%): 100.001289.39
►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone .extracted]+libgromacs.so.80.020.030.011200.010.01libgromacs.so.8 (%): 100.004.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 14272 - mdatoms.cpp:266-437 - libgromacs.so.8 [...]+0.020.030.011190.010.014.00
○Loop 14271 - mtop_lookup.h:93-106 - libgromacs.so.8 [...]00090.000.000.00
○dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*)libgromacs.so.80.020.030.011280.010.01libgromacs.so.8 (%): 100.00642.76clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►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.so.80.020.040.01930.020.01libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 4128 - hashedmap.h:274-281 - libgromacs.so.8 [...]+0.010.030570.010.010.00
►Loop 4131 - stl_vector.h:1064-1064 - libgromacs.so.8 [...]+0.010.020600.010.000.00
○Loop 4132 - hashedmap.h:277-281 - libgromacs.so.800000.000.000.00
○Loop 4129 - idef.h:245-247 - libgromacs.so.8000100.000.000.00
○Loop 4130 - idef.h:245-247 - libgromacs.so.8000110.000.000.00
○Loop 4133 - hashedmap.h:277-281 - libgromacs.so.800000.000.000.00
►rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone .extracted]+libgromacs.so.80.020.040.011140.010.01libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 3524 - pairlist.cpp:2998-2998 - libgromacs.so.800000.000.000.00
►Loop 3525 - pairlist.cpp:3724-3829 - libgromacs.so.8 [...]+000180.000.000.00
►Loop 3526 - pairlist.cpp:3724-3829 - libgromacs.so.8 [...]+00.010180.000.000.00
○Loop 3527 - stl_vector.h:1189-1198 - libgromacs.so.8 [...]0.010.040.01820.010.010.00
○Loop 3528 - stl_vector.h:1189-1198 - libgromacs.so.8 [...]0.010.030480.010.010.00
○Loop 3523 - pairlist.cpp:2998-2998 - libgromacs.so.800000.000.000.00
►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.so.80.020.060.01850.020.01libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 2009 - grid.cpp:1032-1093 - libgromacs.so.8 [...]+00010.000.000.00
○Loop 2012 - grid.cpp:1068-1087 - libgromacs.so.8 [...]0.020.060.01850.020.010.00
○Loop 2011 - grid.cpp:1091-1093 - libgromacs.so.800000.000.000.00
○Loop 2010 - grid.cpp:1091-1093 - libgromacs.so.800000.000.000.00
►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.so.80.020.030.011180.010.01libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 4114 - stl_vector.h:353-353 - libgromacs.so.8 [...]00000.000.000.00
►Loop 4115 - localtopology.cpp:738-788 - libgromacs.so.8 [...]+00.010290.000.000.00
►Loop 4119 - stl_vector.h:346-1762 - libgromacs.so.8 [...]+0.020.030.011180.010.010.00
○Loop 4120 - hashedmap.h:277-281 - libgromacs.so.800000.000.000.00
○Loop 4118 - stl_algobase.h:2067-2081 - libgromacs.so.8 [...]00000.000.000.00
►Loop 4116 - stl_vector.h:346-1762 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 4117 - hashedmap.h:277-282 - libgromacs.so.800000.000.000.00
►sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted]+libgromacs.so.80.020.040.011280.010.01libgromacs.so.8 (%): 100.0060.13clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 14507 - sim_util.cpp:149-150 - libgromacs.so.8 [...]0.020.040.011280.010.0160.13
►gmx::ThreadedForceBuffer<float [4]>::setupReduction()+libgromacs.so.80.021.180.0110.000.00libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 4912 - threaded_force_buffer.cpp:257-261 - libgromacs.so.8 [...]00000.000.000.00
►Loop 4907 - new_allocator.h:127-162 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 4911 - threaded_force_buffer.cpp:278-278 - libgromacs.so.8 [...]0.021.180.0110.000.000.00
○Loop 4909 - threaded_force_buffer.cpp:290-292 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4908 - new_allocator.h:145-145 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4910 - threaded_force_buffer.cpp:290-292 - libgromacs.so.8 [...]00000.000.000.00
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, floa...+libgromacs.so.80.020.030.011280.010.01libgromacs.so.8 (%): 100.00392.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 15705 - bonded.cpp:1913-2011 - libgromacs.so.8 [...]+00.0101270.010.000.00
○Loop 15706 - bonded.cpp:1913-2008 - libgromacs.so.8 [...]0.010.030.011280.010.01316.88
○mkl_dft_def_ownscDftInv_PrimeFact_32fclibmkl_def.so0.020.030.011280.010.01Math (%): 100.00981.26
►gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone .extracted]+libgromacs.so.80.020.030.011200.010.01libgromacs.so.8 (%): 100.0011.13clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 14220 - lincs.cpp:1298-1403 - libgromacs.so.8 [...]+00010.000.000.00
►Loop 14221 - lincs.cpp:1301-1374 - libgromacs.so.8 [...]+00.010250.000.000.00
►Loop 14222 - lincs.cpp:1305-1374 - libgromacs.so.8 [...]+0.020.030.011130.010.0110.50
○Loop 14223 - lincs.cpp:1341-1374 - libgromacs.so.8 [...]00000.000.000.00
○__libm_sincosf_e7gmx0.020.030.011280.010.01Exe (%): 100.00496.38
►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.so.80.020.030.011280.010.01libgromacs.so.8 (%): 100.00435.38clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 15696 - vec.h:141-335 - libgromacs.so.8 [...]0.020.030.011280.010.01435.38
►gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted.52]+libgromacs.so.80.020.030.011170.010.01libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 14218 - lincs.cpp:1686-1708 - libgromacs.so.8 [...]+00.010130.000.000.00
○Loop 14219 - stl_vector.h:346-1762 - libgromacs.so.8 [...]0.020.030.011160.010.010.00
○DftiComputeBackwardlibmkl_core.so0.020.030.011280.010.01Math (%): 100.001509.77
○DftiComputeForwardlibmkl_core.so0.020.060.011280.020.01Math (%): 100.001012.39
○compute_1d_small_bwdlibmkl_def.so0.010.0101280.010.00Math (%): 100.000.00
○compute_1d_small_fwdlibmkl_def.so0.010.0101280.010.00Math (%): 100.000.00
►gmx::Constraints::Impl::apply(bool, bool, long, int, float, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, float const (*)...+libgromacs.so.80.010.020.01910.010.00libgromacs.so.8 (%): 100.000.88clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 13655 - constr.cpp:590-610 - libgromacs.so.8 [...]0.010.020.01890.010.000.25
○__libm_acosf_l9gmx0.010.0201280.010.00Math (%): 100.000.00
○__kmpc_barrierlibiomp5.so0.010.0201280.010.01OMP (%): 100.000.00
○mkl_dft_def_ippsDFTFwd_CToC_32fclibmkl_def.so0.010.0201280.010.00Math (%): 100.000.00
►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.so.80.010.020.01840.010.01libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 3964 - domdec_constraints.cpp:203-452 - libgromacs.so.8 [...]+00.01050.000.000.00
►Loop 3965 - stl_vector.h:346-1798 - libgromacs.so.8 [...]+0.010.010590.010.000.00
○Loop 3966 - mtop_lookup.h:93-106 - libgromacs.so.8 [...]00020.000.000.00
►Loop 3967 - ga2la.h:112-126 - libgromacs.so.8 [...]+00050.000.000.00
○Loop 3968 - hashedmap.h:277-282 - libgromacs.so.800000.000.000.00
►Loop 3969 - ga2la.h:112-126 - libgromacs.so.8 [...]+00.010400.010.000.00
○Loop 3970 - hashedmap.h:277-282 - libgromacs.so.800000.000.000.00
○gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo...libgromacs.so.80.010.030.011280.010.01libgromacs.so.8 (%): 100.00286.25clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►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.so.80.010.0201050.010.00libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 14201 - lincs.cpp:376-391 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14200 - lincs.cpp:396-409 - libgromacs.so.8 [...]00000.000.000.00
►calcBondedForces(InteractionDefinitions const&, bonded_threading_t*, float const (*) [3], t_forcerec const*, t_pbc const*, float (*) [3], gmx_enerdata_t*, t_nrnb*, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float con...+libgromacs.so.80.010.020.011280.010.00libgromacs.so.8 (%): 100.00208.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 15809 - listed_forces.cpp:387-451 - libgromacs.so.8 [...]+00.010550.000.000.00
►Loop 15811 - utilities.h:56-57 - libgromacs.so.8 [...]+0.010.0201280.010.000.00
○Loop 15810 - utilities.h:56-57 - libgromacs.so.8 [...]0001280.000.000.00
►calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3]) [clone .extracted]+libgromacs.so.80.010.020.011280.010.01libgromacs.so.8 (%): 100.00398.50clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 13615 - calcvir.cpp:61-120 - libgromacs.so.8 [...]+00030.000.000.00
○Loop 13616 - calcvir.cpp:61-67 - libgromacs.so.8 [...]0.010.0201280.010.010.00
►Loop 13617 - calcvir.cpp:61-120 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 13618 - calcvir.cpp:61-81 - libgromacs.so.8 [...]00000.000.000.00
○mkl_dft_def_ippsFFTInv_CCSToR_32flibmkl_def.so0.010.030.011280.010.01Math (%): 100.00890.39
○__kmpc_for_static_init_4libiomp5.so0.010.020780.010.00OMP (%): 100.000.00
○clearRVecs(gmx::ArrayRef<gmx::BasicVector<float> >, bool) [clone .extracted]libgromacs.so.80.010.020.01840.010.00libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef<float const>, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto...libgromacs.so.80.010.030.01960.010.01libgromacs.so.8 (%): 100.000.25clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○__kmp_init_implicit_tasklibiomp5.so0.010.030.01840.010.01OMP (%): 100.000.00
►gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo...+libgromacs.so.80.010.030.011000.010.01libgromacs.so.8 (%): 100.005.38clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 15990 - pme.cpp:1397-1407 - libgromacs.so.80.010.030.01940.010.010.63
►Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)+libgromacs.so.80.010.030.01820.010.01libgromacs.so.8 (%): 100.005.88clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 2017 - grid.cpp:329-407 - libgromacs.so.8 [...]+0.010.020730.010.010.00
○Loop 2019 - grid.cpp:397-400 - libgromacs.so.800000.000.000.00
○Loop 2018 - grid.cpp:385-387 - libgromacs.so.8 [...]00070.000.000.00
○Loop 2013 - grid.cpp:415-420 - libgromacs.so.800010.000.000.00
○Loop 2016 - grid.cpp:426-431 - libgromacs.so.800000.000.000.00
○Loop 2015 - grid.cpp:426-431 - libgromacs.so.800000.000.000.00
○Loop 2014 - grid.cpp:415-420 - libgromacs.so.800.010420.010.000.00
○__memcpy_avx_unaligned_ermslibc-2.28.so0.010.4020.500.28Memory (%): 100.000.00
○__kmp_finish_implicit_tasklibiomp5.so0.010.0101270.010.00OMP (%): 100.000.00
►Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*)+libgromacs.so.80.010.030.01780.010.01libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 1993 - grid.cpp:598-605 - libgromacs.so.8 [...]00000.000.000.00
○Loop 1990 - grid.cpp:531-536 - libgromacs.so.8 [...]00000.000.000.00
○Loop 2001 - grid.cpp:921-923 - libgromacs.so.800000.000.000.00
○Loop 1997 - grid.cpp:476-483 - libgromacs.so.8 [...]00000.000.000.00
○Loop 1998 - grid.cpp:504-511 - libgromacs.so.8 [...]00000.000.000.00
○Loop 1999 - grid.cpp:504-511 - libgromacs.so.8 [...]00000.000.000.00
○Loop 1991 - grid.cpp:531-536 - libgromacs.so.8 [...]00050.000.000.00
○Loop 1992 - grid.cpp:598-605 - libgromacs.so.8 [...]00000.000.000.00
○Loop 2002 - grid.cpp:911-915 - libgromacs.so.800000.000.000.00
○Loop 2003 - grid.cpp:911-915 - libgromacs.so.800000.000.000.00
►Loop 2005 - grid.cpp:816-889 - libgromacs.so.8 [...]+00060.000.000.00
○Loop 2008 - grid.cpp:823-834 - libgromacs.so.80.010.020.01710.010.000.00
○Loop 2006 - grid.cpp:855-857 - libgromacs.so.800000.000.000.00
○Loop 2007 - grid.cpp:855-857 - libgromacs.so.800000.000.000.00
○Loop 1996 - grid.cpp:476-483 - libgromacs.so.8 [...]00000.000.000.00
○Loop 1994 - grid.cpp:633-633 - libgromacs.so.8 [...]00000.000.000.00
○Loop 1995 - grid.cpp:633-633 - libgromacs.so.8 [...]00000.000.000.00
○Loop 2004 - grid.cpp:911-915 - libgromacs.so.800000.000.000.00
○Loop 2000 - grid.cpp:921-923 - libgromacs.so.800070.000.000.00
►gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*)+libgromacs.so.80.010.43010.000.00libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 14141 - lincs.cpp:1664-1664 - libgromacs.so.8 [...]00.02010.000.000.00
○Loop 14159 - lincs.cpp:2129-2131 - libgromacs.so.800000.000.000.00
○Loop 14160 - lincs.cpp:2129-2131 - libgromacs.so.800000.000.000.00
►Loop 14138 - lincs.cpp:1674-2031 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 14139 - lincs.cpp:1679-1682 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14140 - lincs.cpp:1679-1682 - libgromacs.so.8 [...]00.02010.000.000.00
○Loop 14144 - stl_algobase.h:911-912 - libgromacs.so.800000.000.000.00
○Loop 14161 - stl_uninitialized.h:1031-1031 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14143 - stl_algobase.h:911-912 - libgromacs.so.800000.000.000.00
○Loop 14145 - stl_algobase.h:911-912 - libgromacs.so.800000.000.000.00
○Loop 14137 - lincs.cpp:1728-1728 - libgromacs.so.8 [...]00.07010.000.000.00
►Loop 14132 - lincs.cpp:1779-1797 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 14133 - stl_vector.h:346-1762 - libgromacs.so.8 [...]00000.000.000.00
►Loop 14134 - lincs.cpp:1733-2031 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 14135 - lincs.cpp:1738-1741 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14136 - lincs.cpp:1738-1741 - libgromacs.so.8 [...]00.03010.000.000.00
○Loop 14142 - stl_algobase.h:911-912 - libgromacs.so.800000.000.000.00
►Loop 14148 - lincs.cpp:1823-2231 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 14149 - lincs.cpp:2216-2222 - libgromacs.so.800000.000.000.00
►Loop 14150 - lincs.cpp:1823-2201 - libgromacs.so.8 [...]+00.27010.000.000.00
►Loop 14157 - lincs.cpp:1823-1878 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 14158 - lincs.cpp:1823-1878 - libgromacs.so.8 [...]00000.000.000.00
►Loop 14151 - lincs.cpp:1924-2031 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 14153 - lincs.cpp:1945-2031 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14155 - lincs.cpp:1934-2031 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14154 - lincs.cpp:1934-1938 - libgromacs.so.800000.000.000.00
○Loop 14152 - lincs.cpp:1945-1949 - libgromacs.so.800000.000.000.00
○Loop 14156 - lincs.cpp:1901-1919 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14147 - lincs.cpp:2279-2281 - libgromacs.so.800.01010.000.000.00
○Loop 14162 - stl_vector.h:1499-1798 - libgromacs.so.8 [...]00000.000.000.00
○Loop 14146 - lincs.cpp:2279-2281 - libgromacs.so.800000.000.000.00
►set_pbc_simd(t_pbc const*, float*)+libgromacs.so.80.010.030.011280.010.01libgromacs.so.8 (%): 100.00136.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 5224 - pbc_simd.cpp:59-61 - libgromacs.so.80001180.000.000.00
○Loop 5223 - pbc_simd.cpp:59-61 - libgromacs.so.8000190.000.000.00
►do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<bool const>, gmx::ArrayRef<un...+libgromacs.so.80.010.020.011280.010.01libgromacs.so.8 (%): 100.00322.88clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 15872 - vec.h:141-345 - libgromacs.so.8 [...]0.010.020.011280.010.01287.25
○Loop 15871 - vec.h:141-345 - libgromacs.so.8 [...]00000.000.000.00
►PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*)+libgromacs.so.80.010.47010.000.00libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 3401 - pairlist.cpp:4239-4239 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3402 - pairlist.cpp:2856-2862 - libgromacs.so.8 [...]00000.000.000.00
►Loop 3396 - pairlist.h:201-201 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3397 - pairlist.cpp:2669-2679 - libgromacs.so.8 [...]00000.000.000.00
►Loop 3415 - pairlist.cpp:2694-4161 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3416 - pairlist.cpp:2760-2762 - libgromacs.so.8 [...]00000.000.000.00
►Loop 3414 - pairlist.cpp:2694-4161 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 3413 - pairlist.cpp:2957-4161 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3419 - pairlist.cpp:4136-4145 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3412 - pairlist.cpp:3957-4040 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3418 - pairlist.cpp:4136-4138 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3417 - pairlist.cpp:2697-2701 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3420 - stl_vector.h:919-1798 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3407 - pairlist.cpp:4213-4215 - libgromacs.so.8 [...]00000.000.000.00
►Loop 3398 - pairlist.cpp:2650-4256 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 3399 - pairlist.cpp:2650-2656 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3400 - pairlist.cpp:2654-2656 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3411 - pairlist.cpp:3854-3857 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3410 - pairlist.cpp:3759-3761 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3392 - pairlist.cpp:4372-4378 - libgromacs.so.8 [...]00000.000.000.00
►Loop 3409 - bitmask.h:191-191 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3408 - pairlist.cpp:3654-3654 - libgromacs.so.8 [...]0.010.47010.000.000.00
○Loop 3406 - pairlist.cpp:2780-2783 - libgromacs.so.8 [...]00000.000.000.00
►Loop 3403 - pairlist.cpp:2821-2851 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 3404 - pairlist.cpp:2825-2851 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3405 - pairlist.cpp:2844-2848 - libgromacs.so.800000.000.000.00
►Loop 3393 - pairlist.cpp:3671-4011 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 3395 - pairlist.cpp:3682-3684 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3394 - pairlist.cpp:3682-3684 - libgromacs.so.8 [...]00000.000.000.00
○Loop 3421 - pairlist.cpp:2518-2542 - libgromacs.so.8 [...]00000.000.000.00
►nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const (*) [3], nbnxn_atomdata_t*) [clone .extracted]+libgromacs.so.80.010.020.01790.010.00libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 1923 - atomdata.cpp:964-986 - libgromacs.so.8 [...]+00000.000.000.00
►Loop 1924 - atomdata.cpp:969-986 - libgromacs.so.8 [...]+00.010170.000.000.00
○Loop 1925 - atomdata.cpp:977-986 - libgromacs.so.8 [...]0.010.020740.010.000.00
○__tls_get_addrld-2.28.so0.010.0201270.010.00System (%): 100.000.00
►gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted]+libgromacs.so.80.010.020670.010.00libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 14216 - lincs.cpp:1745-1765 - libgromacs.so.8 [...]+00050.000.000.00
○Loop 14217 - lincs.cpp:1755-1765 - libgromacs.so.8 [...]0.010.010660.010.000.00
○__kmp_barrierlibiomp5.so0.010.110.011280.020.01OMP (%): 100.00244.75
○__kmpc_for_static_finilibiomp5.so0.010.0201280.010.00OMP (%): 100.000.00
○mkl_dft_def_ippsDFTInv_CToC_32fclibmkl_def.so0.010.0201280.010.00Math (%): 100.000.00
►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.so.80.010.020940.010.00libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 2022 - grid.cpp:1241-1313 - libgromacs.so.8 [...]0.010.020930.010.000.00
○Loop 2023 - grid.cpp:1241-1346 - libgromacs.so.8 [...]00000.000.000.00
►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.so.80.010.46010.000.00libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 3948 - domdec_constraints.cpp:286-347 - libgromacs.so.8 [...]+00.16010.000.000.00
►Loop 3950 - ga2la.h:112-126 - libgromacs.so.8 [...]+00.28010.000.000.00
○Loop 3951 - hashedmap.h:277-282 - libgromacs.so.800000.000.000.00
○Loop 3949 - mtop_lookup.h:93-106 - libgromacs.so.8 [...]00.02010.000.000.00
○__kmp_fork_barrier(int, int)libiomp5.so0.010.0101110.010.00OMP (%): 100.000.00
○_intel_fast_memcpygmx0.010.070.011020.020.01Memory (%): 100.0012.88
○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.so.80.010.030.011280.010.01libgromacs.so.8 (%): 100.00377.13clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs.so.80.010.0201280.010.00libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►unwrap_periodic_pmegrid(gmx_pme_t*, float*)+libgromacs.so.80.010.790.0110.000.00libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 16064 - pme_grid.cpp:496-504 - libgromacs.so.8+00000.000.000.00
►Loop 16065 - pme_grid.cpp:500-504 - libgromacs.so.8+00000.000.000.00
○Loop 16067 - pme_grid.cpp:502-504 - libgromacs.so.80.010.780.0110.000.000.00
○Loop 16066 - pme_grid.cpp:502-504 - libgromacs.so.800000.000.000.00
○__kmp_invoke_task_funclibiomp5.so0.010.0201280.010.01OMP (%): 100.000.00
○compute_1d_small_bwdlibmkl_def.so0.010.020.011280.010.00Math (%): 100.00546.51
○mkl_dft_def_ippsDFTFwd_RToCCS_32flibmkl_def.so0.010.130730.040.02Math (%): 100.000.00
►nbnxn_kernel_cpu(PairlistSet const&, Nbnxm::KernelSetup const&, nbnxn_atomdata_t*, interaction_const_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::StepWorkload const&, int, float*, float*, gmx_wallcycle*) [clone ....+libgromacs.so.80.010.0301280.010.01libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 2074 - kerneldispatch.cpp:115-374 - libgromacs.so.8 [...]+0.010.0301250.010.010.00
►Loop 2080 - kerneldispatch.cpp:115-127 - libgromacs.so.8+00000.000.000.00
►Loop 2079 - kerneldispatch.cpp:117-127 - libgromacs.so.8+00000.000.000.00
○Loop 2078 - kerneldispatch.cpp:119-127 - libgromacs.so.800000.000.000.00
►Loop 2077 - kerneldispatch.cpp:115-127 - libgromacs.so.8+00000.000.000.00
►Loop 2076 - kerneldispatch.cpp:117-127 - libgromacs.so.8+00000.000.000.00
○Loop 2075 - kerneldispatch.cpp:119-127 - libgromacs.so.800000.000.000.00
►copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+libgromacs.so.80.010.0601270.010.01libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
►Loop 16048 - pme_grid.cpp:395-404 - libgromacs.so.8+0.010.060990.010.010.00
○Loop 16051 - pme_grid.cpp:402-404 - libgromacs.so.800000.000.000.00
○Loop 16050 - pme_grid.cpp:402-404 - libgromacs.so.800000.000.000.00
○Loop 16049 - pme_grid.cpp:402-404 - libgromacs.so.800000.000.000.00
○compute_1d_small_fwdlibmkl_def.so0.010.280.01920.060.03Math (%): 100.0038.00
○mkl_serv_verbose_modelibmkl_core.so0.010.120.011280.020.01Math (%): 100.00389.38
►gmx::dd_partition_system(_IO_FILE*, gmx::MDLogger const&, long, t_commrec const*, bool, t_state*, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession*, pull_t*, t_state*, gmx::ForceBuffers*, gmx::MDAtoms*, gmx_localtop_t*, t_forcerec*, gmx::V...+libgromacs.so.80.010.810.0110.000.00libgromacs.so.8 (%): 100.000.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I...
○Loop 4276 - partition.cpp:448-450 - libgromacs.so.800000.000.000.00
○Loop 4286 - partition.cpp:1182-1186 - libgromacs.so.800000.000.000.00
○Loop 4287 - partition.cpp:931-935 - libgromacs.so.800000.000.000.00
►Loop 4288 - partition.cpp:665-917 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 4290 - stl_algobase.h:235-259 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4289 - partition.cpp:875-903 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4278 - partition.cpp:468-470 - libgromacs.so.800000.000.000.00
○Loop 4254 - partition.cpp:448-450 - libgromacs.so.800000.000.000.00
►Loop 4283 - hashedmap.h:229-255 - libgromacs.so.8 [...]+00.11010.000.000.00
○Loop 4284 - hashedmap.h:232-255 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4272 - partition.cpp:725-732 - libgromacs.so.8 [...]00000.000.000.00
►Loop 4281 - utility.h:82-89 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 4280 - utility.h:82-82 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4256 - partition.cpp:424-434 - libgromacs.so.800000.000.000.00
►Loop 4211 - partition.cpp:447-3368 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 4243 - stl_algobase.h:383-385 - libgromacs.so.800000.000.000.00
○Loop 4249 - partition.cpp:2521-2523 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4252 - partition.cpp:2556-2560 - libgromacs.so.8 [...]00.03010.000.000.00
○Loop 4230 - stl_algobase.h:383-385 - libgromacs.so.800000.000.000.00
○Loop 4231 - partition.cpp:2521-2523 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4225 - partition.cpp:448-450 - libgromacs.so.800000.000.000.00
○Loop 4253 - partition.cpp:450-468 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4248 - stl_algobase.h:383-385 - libgromacs.so.800.12010.000.000.00
○Loop 4223 - partition.cpp:2216-2220 - libgromacs.so.8 [...]00000.000.000.00
►Loop 4220 - partition.cpp:3217-3231 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 4221 - domdec_internal.h:249-251 - libgromacs.so.800000.000.000.00
○Loop 4212 - domdec_internal.h:249-251 - libgromacs.so.800000.000.000.00
○Loop 4237 - partition.cpp:2521-2523 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4236 - stl_algobase.h:383-385 - libgromacs.so.800000.000.000.00
○Loop 4244 - stl_algobase.h:383-385 - libgromacs.so.800.14010.000.000.00
○Loop 4214 - partition.cpp:614-623 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4229 - stl_algobase.h:383-385 - libgromacs.so.800000.000.000.00
○Loop 4217 - partition.cpp:554-568 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4239 - stl_algobase.h:383-385 - libgromacs.so.800000.000.000.00
○Loop 4242 - partition.cpp:2521-2523 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4226 - hashedmap.h:290-293 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4241 - partition.cpp:2521-2523 - libgromacs.so.8 [...]00000.000.000.00
►Loop 4215 - ga2la.h:112-114 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 4216 - hashedmap.h:277-282 - libgromacs.so.800000.000.000.00
○Loop 4213 - partition.cpp:614-623 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4245 - partition.cpp:2521-2523 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4218 - partition.cpp:554-568 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4251 - partition.cpp:2556-2560 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4219 - partition.cpp:3217-3239 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4228 - stl_algobase.h:383-385 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4246 - partition.cpp:2521-2523 - libgromacs.so.8 [...]00.13010.000.000.00
○Loop 4224 - partition.cpp:450-450 - libgromacs.so.800000.000.000.00
○Loop 4227 - ga2la.h:156-158 - libgromacs.so.8 [...]00.04010.000.000.00
○Loop 4247 - stl_algobase.h:383-385 - libgromacs.so.800000.000.000.00
○Loop 4240 - stl_algobase.h:383-385 - libgromacs.so.800000.000.000.00
○Loop 4222 - partition.cpp:3194-3196 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4250 - partition.cpp:2521-2523 - libgromacs.so.8 [...]00.11010.000.000.00
○Loop 4232 - partition.cpp:2521-2523 - libgromacs.so.8 [...]00.06010.000.000.00
►Loop 4233 - partition.cpp:2540-2540 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 4234 - stl_algobase.h:383-385 - libgromacs.so.800000.000.000.00
○Loop 4235 - stl_algobase.h:383-385 - libgromacs.so.800000.000.000.00
○Loop 4238 - partition.cpp:2521-2523 - libgromacs.so.8 [...]00.05010.000.000.00
○Loop 4282 - ga2la.h:156-158 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4285 - ga2la.h:156-158 - libgromacs.so.8 [...]00010.000.000.00
○Loop 4279 - partition.cpp:468-470 - libgromacs.so.800000.000.000.00
○Loop 4275 - partition.cpp:448-450 - libgromacs.so.800000.000.000.00
►Loop 4257 - partition.cpp:170-383 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 4271 - partition.cpp:185-197 - libgromacs.so.800000.000.000.00
►Loop 4258 - partition.cpp:173-383 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 4262 - partition.cpp:309-313 - libgromacs.so.800000.000.000.00
○Loop 4260 - partition.cpp:360-362 - libgromacs.so.800000.000.000.00
○Loop 4263 - partition.cpp:309-336 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4261 - partition.cpp:350-354 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4268 - partition.cpp:193-298 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4259 - partition.cpp:374-378 - libgromacs.so.800000.000.000.00
○Loop 4264 - partition.cpp:309-321 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4266 - partition.cpp:275-298 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4267 - partition.cpp:275-298 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4265 - partition.cpp:275-275 - libgromacs.so.800000.000.000.00
►Loop 4269 - partition.cpp:173-250 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 4270 - partition.cpp:246-250 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4255 - partition.cpp:149-162 - libgromacs.so.800000.000.000.00
►Loop 4274 - utility.h:82-89 - libgromacs.so.8 [...]+00000.000.000.00
○Loop 4273 - utility.h:82-82 - libgromacs.so.8 [...]00000.000.000.00
○Loop 4277 - partition.cpp:468-3157 - libgromacs.so.8 [...]00000.000.000.00
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