options

Functions and Loops

148 loops and 17 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 (%) Coverage 1x2 (%) Coverage 1x4 (%) Coverage 1x8 (%) Coverage 1x16 (%) Coverage 1x32 (%) Coverage 1x64 (%) Coverage 1x128 (%) Max Time Over Threads 1x1 (s) Max Time Over Threads 1x2 (s) Max Time Over Threads 1x4 (s) Max Time Over Threads 1x8 (s) Max Time Over Threads 1x16 (s) Max Time Over Threads 1x32 (s) Max Time Over Threads 1x64 (s) Max Time Over Threads 1x128 (s) Time w.r.t. Wall Time 1x1 (s) Time w.r.t. Wall Time 1x2 (s) Time w.r.t. Wall Time 1x4 (s) Time w.r.t. Wall Time 1x8 (s) Time w.r.t. Wall Time 1x16 (s) Time w.r.t. Wall Time 1x32 (s) Time w.r.t. Wall Time 1x64 (s) Time w.r.t. Wall Time 1x128 (s) Nb Threads 1x1 Nb Threads 1x2 Nb Threads 1x4 Nb Threads 1x8 Nb Threads 1x16 Nb Threads 1x32 Nb Threads 1x64 Nb Threads 1x128 Deviation (coverage) 1x1 Deviation (coverage) 1x2 Deviation (coverage) 1x4 Deviation (coverage) 1x8 Deviation (coverage) 1x16 Deviation (coverage) 1x32 Deviation (coverage) 1x64 Deviation (coverage) 1x128 Deviation (walltime) 1x1 Deviation (walltime) 1x2 Deviation (walltime) 1x4 Deviation (walltime) 1x8 Deviation (walltime) 1x16 Deviation (walltime) 1x32 Deviation (walltime) 1x64 Deviation (walltime) 1x128 Categories 1x1 Categories 1x2 Categories 1x4 Categories 1x8 Categories 1x16 Categories 1x32 Categories 1x64 Categories 1x128 Compilation Options (1x1) Efficiency (1x1) Potential Speed-Up (%) (1x2) Efficiency (1x2) Potential Speed-Up (%) (1x4) Efficiency (1x4) Potential Speed-Up (%) (1x8) Efficiency (1x8) Potential Speed-Up (%) (1x16) Efficiency (1x16) Potential Speed-Up (%) (1x32) Efficiency (1x32) Potential Speed-Up (%) (1x64) Efficiency (1x64) Potential Speed-Up (%) (1x128) Efficiency (1x128) Potential Speed-Up (%)
NameModuleCoverage 1x1 (%)Coverage 1x2 (%)Coverage 1x4 (%)Coverage 1x8 (%)Coverage 1x16 (%)Coverage 1x32 (%)Coverage 1x64 (%)Coverage 1x128 (%)Max Time Over Threads 1x1 (s)Max Time Over Threads 1x2 (s)Max Time Over Threads 1x4 (s)Max Time Over Threads 1x8 (s)Max Time Over Threads 1x16 (s)Max Time Over Threads 1x32 (s)Max Time Over Threads 1x64 (s)Max Time Over Threads 1x128 (s)Time w.r.t. Wall Time 1x1 (s)Time w.r.t. Wall Time 1x2 (s)Time w.r.t. Wall Time 1x4 (s)Time w.r.t. Wall Time 1x8 (s)Time w.r.t. Wall Time 1x16 (s)Time w.r.t. Wall Time 1x32 (s)Time w.r.t. Wall Time 1x64 (s)Time w.r.t. Wall Time 1x128 (s)Nb Threads 1x1Nb Threads 1x2Nb Threads 1x4Nb Threads 1x8Nb Threads 1x16Nb Threads 1x32Nb Threads 1x64Nb Threads 1x128Deviation (coverage) 1x1Deviation (coverage) 1x2Deviation (coverage) 1x4Deviation (coverage) 1x8Deviation (coverage) 1x16Deviation (coverage) 1x32Deviation (coverage) 1x64Deviation (coverage) 1x128Deviation (walltime) 1x1Deviation (walltime) 1x2Deviation (walltime) 1x4Deviation (walltime) 1x8Deviation (walltime) 1x16Deviation (walltime) 1x32Deviation (walltime) 1x64Deviation (walltime) 1x128Categories 1x1Categories 1x2Categories 1x4Categories 1x8Categories 1x16Categories 1x32Categories 1x64Categories 1x128Compilation Options(1x1) Efficiency(1x1) Potential Speed-Up (%)(1x2) Efficiency(1x2) Potential Speed-Up (%)(1x4) Efficiency(1x4) Potential Speed-Up (%)(1x8) Efficiency(1x8) Potential Speed-Up (%)(1x16) Efficiency(1x16) Potential Speed-Up (%)(1x32) Efficiency(1x32) Potential Speed-Up (%)(1x64) Efficiency(1x64) Potential Speed-Up (%)(1x128) Efficiency(1x128) Potential Speed-Up (%)
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.859.755.4753.0449.5643.5336.7324.839.77156.6580.0239.5720.110.115.062.621.52156.6577.9239.1619.879.985.072.611.3212481632641280.002.421.211.261.601.170.940.770.003.180.730.430.320.140.090.10libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.0101-00.990.720.980.830.971.270.941.540.930.71
Loop 600 - kernel_outer.h:206-496 - libgromacs.so.8 [...]+1.211.161.061.010.880.680.460.173.171.680.950.660.320.150.120.063.171.620.780.40.20.090.050.0212481632641270.000.060.160.290.230.210.200.090.000.080.110.110.050.030.020.01100.980.031.0200.990.010.990.011.100.9901.240
Loop 605 - kernel_outer.h:431-431 - libgromacs.so.8 [...]38.3335.8734.1832.1127.8623.7516.216.37100.5855.0131.7616.097.783.962.111.21100.5850.3825.2312.876.393.281.70.8612481632641280.004.676.306.965.755.024.051.910.006.684.752.781.290.660.400.251010.0610.120.980.740.980.450.960.990.921.220.910.55
Loop 603 - kernel_outer.h:452-452 - libgromacs.so.8 [...]15.7214.2913.9112.8111.519.496.422.5541.2426.9215.388.124.372.431.640.9341.2420.0710.275.142.641.310.670.3412481632641280.006.997.287.826.855.854.632.110.009.755.313.071.520.760.450.27101.03010100.980.270.980.150.960.250.950.13
Loop 606 - impl_x86_avx_256_simd_float.h:96-406 - libgromacs.so.8 [...]1.871.611.631.461.351.170.690.274.912.341.540.730.470.250.110.094.912.261.20.580.310.160.070.0412481632641280.000.080.320.310.370.370.230.130.000.120.240.120.080.050.020.02101.0901.0201.0600.990.010.960.051.100.960.01
Loop 604 - impl_x86_avx_256_simd_float.h:96-406 - libgromacs.so.8 [...]1.431.441.291.251.070.910.580.213.752.611.450.890.430.260.170.13.752.020.950.50.250.130.060.0312481632641200.000.600.660.790.670.610.440.190.000.830.480.310.150.080.040.02100.930.10.990.020.940.080.940.070.90.090.980.010.980
Loop 601 - kernel_outer.h:473-473 - libgromacs.so.8 [...]1.0110.850.810.760.650.430.182.661.730.740.430.270.180.090.072.661.40.630.320.170.090.040.0212481632581050.000.330.220.220.240.270.210.120.000.470.160.090.050.040.020.01100.950.051.0601.0400.980.020.920.051.0401.040
Loop 602 - kernel_outer.h:465-468 - libgromacs.so.8 [...]0.130.110.110.110.090.070.050.020.340.20.110.080.040.030.030.020.340.160.080.050.020.010.0101248162934420.000.040.050.060.050.050.050.020.000.060.040.020.010.010.010.00101.0601.0600.850.021.0601.06-00.530.0210
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.89.098.388.027.476.635.613.881.5523.8612.156.053.021.530.790.450.2523.8611.775.922.991.520.780.410.2112481632641280.000.430.280.210.240.240.320.210.000.570.180.070.050.030.030.03libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.0101.01010.020.980.130.960.250.910.350.890.17
Loop 607 - kernel_outer.h:222-506 - libgromacs.so.8 [...]+0.150.160.160.130.120.080.070.030.390.220.160.080.050.020.020.020.390.220.120.050.030.010.0101248162749710.000.010.050.040.060.040.040.030.000.010.030.020.010.010.000.00100.890.020.810.030.9700.810.021.2200.610.0310
Loop 612 - kernel_outer.h:431-431 - libgromacs.so.8 [...]5.885.295.024.674.143.62.450.9815.448.094.662.451.20.620.340.2215.447.423.71.870.950.50.260.1312481632641280.000.670.921.100.950.780.680.340.000.950.690.440.210.100.070.04101.0401.0401.0301.0200.960.130.930.180.930.07
Loop 610 - kernel_outer.h:452-452 - libgromacs.so.8 [...]2.332.162.112.041.791.461.010.416.124.052.371.310.690.380.280.166.123.041.560.820.410.20.110.0512481632641270.001.031.151.231.080.940.770.330.001.440.840.480.240.120.080.04101.0100.980.040.930.140.930.120.960.060.870.130.960.02
Loop 613 - impl_x86_avx_256_simd_float.h:96-406 - libgromacs.so.8 [...]0.30.30.310.270.230.20.130.050.790.430.30.140.080.050.030.020.790.430.230.110.050.030.010.011248163258980.000.010.070.060.090.080.080.040.000.010.050.020.020.010.010.00100.920.020.860.040.90.030.9900.820.041.2300.620.02
Loop 611 - simd_diagonal_masker.h:104-169 - libgromacs.so.8 [...]0.270.280.230.230.230.170.140.050.720.50.220.160.110.060.050.040.720.40.170.090.050.020.020.011248153154740.000.110.100.150.150.110.130.060.000.160.070.060.030.010.010.01100.90.031.060100.90.021.1300.560.060.560.02
Loop 608 - kernel_outer.h:473-473 - libgromacs.so.8 [...]0.140.170.170.130.10.10.070.030.360.290.180.10.040.030.020.020.360.240.120.050.020.010.0101248153143600.000.050.060.060.040.050.050.030.000.070.050.020.010.010.000.00100.750.040.750.040.90.011.1301.1300.560.0310
Loop 609 - kernel_outer.h:465-468 - libgromacs.so.8 [...]0.020.020.020.020.020.010.0100.050.020.020.020.010.0100.010.040.020.020.01000012447710120.000.000.010.030.020.020.000.010.000.000.000.010.000.000.000.0010100.50.010.50.0110101010
spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]+libgromacs.so.84.073.593.64.133.662.682.051.3210.685.973.12.271.080.460.280.3110.685.042.661.650.840.370.220.1812481632641280.000.960.710.890.770.530.440.380.001.330.510.350.170.070.040.05libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.060100.810.790.790.750.90.260.760.50.460.71
Loop 16283 - pme_spread.cpp:188-988 - libgromacs.so.8 [...]+0000.01000.010.010000.0100.0100.01000000000003339200.000.000.000.010.000.000.000.010.000.000.000.000.000.000.000.00
Loop 16294 - pme_spread.cpp:358-400 - libgromacs.so.8 [...]+2.652.142.172.081.961.341.030.666.943.581.881.30.650.240.150.176.9431.60.830.450.180.110.0912481632641270.000.600.430.590.500.300.240.240.000.830.310.230.110.040.020.03101.1601.0801.0500.960.071.200.990.010.60.26
Loop 16300 - pme_simd4.h:138-148 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16296 - pme_spread.cpp:400-400 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16297 - pme_spread.cpp:400-400 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16299 - pme_spread.cpp:400-400 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16295 - pme_spread.cpp:400-400 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16298 - pme_spread.cpp:400-400 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16301 - pme_spread.cpp:277-975 - libgromacs.so.8 [...]+1.421.381.381.981.541.160.850.433.732.251.190.940.470.220.140.133.731.941.020.790.350.160.090.0612481632641280.000.320.290.350.340.270.280.200.000.440.210.140.080.030.030.03100.960.050.910.120.590.810.670.510.730.310.650.30.490.22
Loop 16302 - pme_spread.cpp:292-292 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16304 - pme_spread.cpp:292-292 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16303 - pme_spread.cpp:292-292 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16306 - pme_spread.cpp:292-292 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16305 - pme_spread.cpp:292-292 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16307 - pme_spread.cpp:188-199 - libgromacs.so.8 [...]+00000.010.020.040.1200000.010.010.010.0400000000.020002515391200.000.000.000.000.010.020.020.060.000.000.000.000.000.000.000.01
Loop 16308 - pme_spread.cpp:197-199 - libgromacs.so.800000.010.010.01000000.010.010.010.010000000000006712140.000.000.000.000.010.010.020.010.000.000.000.000.000.000.000.00
Loop 16309 - pme_spread.cpp:197-199 - libgromacs.so.800.060.040.060.120.130.090.0700.120.040.040.050.040.030.0300.080.030.020.030.020.010.0102481631511060.000.040.010.020.050.070.060.050.000.060.010.010.010.010.010.011010101010101010
Loop 16284 - pme_spread.cpp:439-447 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16286 - pme_spread.cpp:441-447 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16285 - pme_spread.cpp:445-447 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16287 - pme_spread.cpp:445-447 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16291 - pme_spread.cpp:439-447 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16292 - pme_spread.cpp:441-447 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16293 - pme_spread.cpp:445-447 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16288 - pme_spread.cpp:439-447 - libgromacs.so.8 [...]+00000.0100.010.0100.0100000.010.0200.0100000001006111350.000.000.000.000.000.000.020.020.000.000.000.000.000.000.000.00
Loop 16289 - pme_spread.cpp:441-447 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16290 - pme_spread.cpp:441-447 - libgromacs.so.8 [...]00.010.020.010.010.020.010.0300.010.030.010.020.010.010.0200.010.0100000024451316630.000.000.020.010.030.010.020.040.000.000.010.000.010.000.000.011010101010101010
gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)+libgromacs.so.83.573.943.853.732.952.572.231.849.386.323.31.690.850.470.320.369.385.532.851.490.680.350.230.2512481632641270.000.820.510.590.610.650.490.600.001.130.370.230.130.090.050.08libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.850.60.820.680.790.790.860.410.840.420.640.810.291.3
Loop 16009 - pme_gather.cpp:94-348 - libgromacs.so.8 [...]+1.711.671.681.691.391.250.870.524.52.591.560.810.40.230.140.154.52.341.240.680.320.170.090.0712481632641250.000.260.340.320.280.310.290.250.000.350.240.130.060.040.030.03100.960.060.910.160.830.290.880.170.830.220.780.190.50.26
Loop 16008 - pme_gather.cpp:156-156 - libgromacs.so.8 [...]1.862.272.172.041.571.321.361.324.883.731.7410.480.260.210.284.883.191.60.820.360.180.140.1812481632641270.000.560.200.360.370.410.310.470.000.780.140.140.080.050.030.06100.760.530.760.520.740.520.850.240.850.20.540.620.211.04
Loop 16014 - pme_gather.cpp:247-251 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16011 - pme_gather.cpp:103-323 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16012 - pme_gather.cpp:103-323 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16013 - pme_gather.cpp:116-120 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16010 - pme_gather.cpp:116-120 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.67]+libgromacs.so.82.392.322.222.071.851.591.090.426.283.341.660.860.430.230.140.096.283.261.640.830.420.220.110.0612481632641280.000.090.090.100.050.110.150.110.000.120.060.040.010.010.010.01libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.960.090.960.090.950.110.930.120.890.170.890.120.820.08
Loop 3480 - vector.tcc:617-680 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3478 - pairlist.cpp:162-4119 - libgromacs.so.8 [...]+0.030.040.020.010.010.020.0100.070.060.020.010.010.010.0100.070.050.020.01000012456111680.000.020.010.010.020.020.010.000.000.020.000.000.000.000.000.00100.70.010.8800.88010101010
Loop 3477 - stl_vector.h:919-1798 - libgromacs.so.8 [...]+0.040.040.040.040.040.030.010.010.110.050.050.030.020.020.010.020.110.050.030.020.010001248131916210.000.000.020.020.020.030.010.030.000.000.020.010.000.000.000.00101.1-00.9200.690.010.690.01101010
Loop 3485 - pairlist.cpp:1330-1430 - libgromacs.so.8 [...]+0.020.020.020.020.010.010.020.010.060.030.020.020.010.010.010.010.060.030.010.010000124661119190.000.000.010.010.010.010.030.010.000.000.010.010.000.000.000.0010101.500.750.0110101010
Loop 3486 - pairlist.cpp:1330-1430 - libgromacs.so.8 [...]+0.090.080.090.080.060.070.050.020.240.130.070.070.030.020.020.020.240.110.060.030.010.010.0101248142842620.000.020.010.040.050.040.040.030.000.020.010.020.010.000.000.00101.09010101.500.750.020.380.0310
Loop 3487 - pairlist.cpp:1341-1351 - libgromacs.so.8 [...]0.030.020.020.040.020.020.020.010.090.040.020.030.010.010.010.010.090.040.010.010000124781315170.000.000.000.020.020.020.020.010.000.000.000.010.000.000.000.00101.13-02.2501.13010101010
Loop 3476 - pairlist.cpp:194-4119 - libgromacs.so.8 [...]+0.020.020.020.010.020.020.0100.060.020.020.020.010.010.010.010.060.020.020.0100001246101310120.000.000.010.010.010.030.020.020.000.000.000.000.000.000.000.00101.500.750.010.75010101010
Loop 3475 - pairlist.cpp:194-4119 - libgromacs.so.8 [...]+0.010.010.010.010.010000.030.020.020.0200000.030.010.0100000122344590.000.010.000.020.000.000.000.000.000.010.000.010.000.000.000.00
Loop 3474 - pairlist.cpp:233-4119 - libgromacs.so.8 [...]+000000000000000000000000001210010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3473 - pairlist.cpp:233-4119 - libgromacs.so.8 [...]+000000000000.01000000000000000210130.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3472 - pairlist.cpp:2885-2888 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3471 - pairlist.cpp:233-4119 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3511 - pairlist.cpp:2998-2998 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3434 - pairlist.cpp:233-4119 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3470 - pairlist.cpp:268-3242 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3436 - pairlist.cpp:240-4119 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3435 - pairlist.cpp:2885-2888 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3437 - pairlist.cpp:240-4119 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3438 - pairlist.cpp:240-4119 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3468 - pairlist.cpp:291-293 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3469 - pairlist.cpp:282-286 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3439 - pairlist.cpp:240-4119 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3440 - pairlist.cpp:2450-2461 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3447 - pairlist.cpp:894-2039 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3448 - pairlist.cpp:894-2039 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3449 - pairlist.cpp:1341-1351 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3450 - pairlist.cpp:1279-1282 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3451 - pairlist.cpp:240-4059 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3452 - pairlist.cpp:240-4059 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3462 - pairlist.cpp:3520-3522 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3453 - pairlist.cpp:240-4059 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3454 - pairlist.cpp:240-4059 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3461 - pairlist.cpp:560-613 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3459 - pairlist.cpp:929-4059 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3455 - pairlist.cpp:931-933 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3460 - pairlist.cpp:931-933 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3457 - pairlist.cpp:929-4059 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3456 - pairlist.cpp:931-933 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3458 - pairlist.cpp:931-933 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3463 - pairlist.cpp:3505-3507 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3467 - pairlist.cpp:282-286 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3466 - pairlist.cpp:289-293 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3442 - pairlist.cpp:894-1937 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3443 - pairlist.cpp:894-1937 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3444 - pairlist.cpp:894-1919 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3445 - grid.h:239-295 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3446 - pairlist.cpp:894-1919 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3465 - pairlist.cpp:2450-2461 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3464 - pairlist.cpp:2454-2461 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3441 - pairlist.cpp:931-2216 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3509 - pairlist.cpp:268-3242 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3510 - pairlist.cpp:2998-2998 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3507 - pairlist.cpp:291-293 - libgromacs.so.80.010.010.010.0100000.040.010.010.0100.01000.040.010.0100000123522140.000.000.000.010.000.030.000.000.000.000.000.000.000.000.000.00
Loop 3508 - pairlist.cpp:282-286 - libgromacs.so.80.010.020.010.010.010000.030.040.010.0100.01000.030.03000000123344490.000.010.000.010.000.000.000.000.000.020.000.000.000.000.000.00
Loop 3489 - pairlist.cpp:162-4097 - libgromacs.so.8 [...]+0.020.020.020.030.010.010.010.010.050.040.020.020.010.0100.010.040.020.020.01000012478913140.000.010.010.010.010.010.000.020.000.020.000.000.000.000.000.0010100.50.010.50.0110101010
Loop 3490 - pairlist_simd_4xm.h:136-273 - libgromacs.so.8 [...]+0.50.470.420.380.340.320.190.071.30.680.360.180.110.080.040.031.30.660.310.150.080.040.020.0112481632631110.000.020.100.050.100.110.080.050.000.020.070.020.020.010.010.01100.980.011.0501.0801.0201.0201.02-01.02-0
Loop 3497 - pairlist_simd_4xm.h:136-193 - libgromacs.so.8 [...]0.760.660.710.650.630.50.340.1120.940.550.280.190.110.060.0320.920.520.260.140.070.040.0212481632641160.000.020.070.080.130.130.130.060.000.020.050.030.030.020.010.01101.0900.960.030.960.030.890.070.890.050.780.070.780.02
Loop 3503 - pairlist.cpp:3520-3522 - libgromacs.so.80.390.360.340.30.30.230.160.061.020.510.290.160.090.050.040.031.020.510.250.120.070.030.020.0112481632641050.000.000.050.070.080.080.080.040.000.010.040.030.020.010.010.0110101.0201.0600.910.031.0600.80.030.80.01
Loop 3496 - pairlist_simd_4xm.h:204-260 - libgromacs.so.8 [...]0.20.220.180.160.140.120.120.040.530.360.140.110.050.030.020.020.530.320.130.060.030.020.010.011248163057900.000.050.010.060.050.060.060.030.000.070.010.020.010.010.010.00100.830.041.02-01.101.100.830.020.830.020.410.02
Loop 3504 - pairlist.cpp:3505-3507 - libgromacs.so.80.090.080.070.080.040.040.030.020.240.130.060.050.030.020.010.010.250.120.050.030.010.01001248131929450.000.010.010.030.040.030.030.020.000.010.010.010.010.000.000.00101.04-01.2501.04-01.5600.780.011010
Loop 3495 - pairlist.cpp:162-963 - libgromacs.so.8 [...]0.080.110.10.090.090.070.040.020.20.160.090.060.030.020.010.020.20.150.080.040.020.01001248162943500.000.010.020.030.030.040.030.020.000.020.010.010.010.010.000.00100.670.040.630.040.630.030.630.030.630.031010
Loop 3491 - pairlist.cpp:3115-3115 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3501 - pairlist.cpp:1012-1046 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3502 - pairlist.cpp:1029-1041 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3494 - pairlist_simd_2xmm.h:130-174 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3499 - pairlist.cpp:1057-1091 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3500 - pairlist.cpp:1074-1086 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3493 - pairlist_simd_2xmm.h:185-229 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3498 - stl_vector.h:1189-1198 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3492 - stl_vector.h:1189-1198 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3506 - pairlist.cpp:282-286 - libgromacs.so.8000.010.010.010000.010.010.010.0100000.010.010.0100000113443130.000.000.000.010.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3505 - pairlist.cpp:289-293 - libgromacs.so.800.010.010.010.0100.0100.010.020.020.020.010.01000.010.010.010.010000124573930.000.010.010.010.010.020.000.000.000.010.010.000.000.000.000.00
Loop 3482 - stl_vector.h:919-1798 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3483 - pairlist.cpp:1442-1733 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3484 - pairlist.cpp:1442-1733 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3488 - pairlist.cpp:1279-1282 - libgromacs.so.800.010000000.010.0100000000.01000000121320300.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3517 - pairlist.cpp:2082-2086 - libgromacs.so.8 [...]0.030.040.030.030.020.020.010.010.080.080.040.020.010.020.010.010.080.060.020.0100001248101216160.000.020.020.010.010.030.010.010.000.030.010.000.000.000.000.00100.670.01101010101010
Loop 3515 - pairlist.cpp:2092-2096 - libgromacs.so.8 [...]0.030.020.030.020.010.030.010.010.090.040.020.020.010.0100.010.090.030.020.010000124841716170.000.010.010.010.010.020.000.020.000.010.000.010.000.000.000.00101.501.13-01.13-010101010
Loop 3513 - pairlist.cpp:2099-2101 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3514 - pairlist.cpp:2092-2096 - libgromacs.so.8 [...]00000.010000.0100.010.01000000000000101141100.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3479 - stl_algobase.h:911-912 - libgromacs.so.800000000000.010000000000000012110210.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3516 - pairlist.cpp:2082-2086 - libgromacs.so.8 [...]00.010000000.010.0100000000.01000000120211510.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3512 - pairlist.cpp:2099-2101 - libgromacs.so.800.010000000.010.010.01000.01000.010.01000000122021310.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3481 - stl_algobase.h:911-912 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+libgromacs.so.82.163.44.534.455.137.446.737.65.654.773.361.951.311.10.891.615.654.773.351.781.181.030.711.0312481632641280.000.010.100.260.400.431.183.020.000.010.080.100.090.060.110.39libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.591.390.422.620.42.680.33.590.176.160.125.890.047.27
Loop 16367 - fft5d.cpp:758-1369 - libgromacs.so.8 [...]+000.010.010.010.010.010.01000.010.0100.010.010.010000000000239512230.000.000.000.010.000.000.010.010.000.000.000.000.000.000.000.00
Loop 16368 - fft5d.cpp:887-1132 - libgromacs.so.8 [...]+00000.0100.0100.01000.010.010.010.010.010.010000000111134570.000.000.000.000.010.000.030.010.000.000.000.000.000.000.000.00
Loop 16369 - fft5d.cpp:908-1132 - libgromacs.so.8 [...]+0.010000.010000.0200.01000000.020000000112152170.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16370 - fft5d.cpp:912-918 - libgromacs.so.8+0.040.020.030.030.030.030.020.010.10.040.050.030.020.020.010.010.10.040.030.010.010001248111825310.000.000.030.020.020.020.030.020.000.010.020.010.000.000.000.00101.2500.8301.2500.630.01101010
Loop 16371 - fft5d.cpp:916-918 - libgromacs.so.80.640.560.790.840.770.410.60.541.690.820.670.40.230.090.120.251.690.790.580.340.180.060.060.0712481632641280.000.030.100.100.150.100.190.280.000.040.070.040.030.010.020.04101.0700.730.210.620.320.590.320.880.050.440.340.190.44
Loop 16372 - fft5d.cpp:912-918 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16373 - fft5d.cpp:916-918 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16381 - fft5d.cpp:758-789 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16382 - fft5d.cpp:779-789 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16383 - fft5d.cpp:783-789 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16384 - fft5d.cpp:787-789 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16385 - fft5d.cpp:787-789 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16374 - fft5d.cpp:823-1132 - libgromacs.so.8 [...]+00.010.010.010.010.010.0100.010.010.020.010.010.010.010.010.010.010.010.01000012375710130.000.010.010.000.010.000.030.010.000.010.010.000.000.000.000.00
Loop 16375 - fft5d.cpp:845-1132 - libgromacs.so.8 [...]+000.010.010.010.010.010.01000.010.010.010.0100.01000.01000000143489170.000.000.000.010.020.010.000.010.000.000.000.000.000.000.000.00
Loop 16376 - fft5d.cpp:849-855 - libgromacs.so.8+0.040.050.060.080.050.050.040.020.110.070.050.060.030.020.010.020.110.070.050.030.010.01001248131931550.000.000.010.030.030.040.030.030.000.000.010.010.010.000.000.00100.790.010.550.030.460.040.690.020.340.031010
Loop 16378 - fft5d.cpp:853-855 - libgromacs.so.81.412.743.63.434.226.8966.993.693.872.731.551.071.010.791.513.693.852.661.370.970.950.630.9512481632641280.000.040.200.240.310.411.062.890.000.050.150.090.070.050.100.37100.481.430.352.350.342.280.243.220.126.050.095.450.036.78
Loop 16377 - fft5d.cpp:853-855 - libgromacs.so.80.010.010.020.020.010.020.030.010.030.020.010.020.010.010.020.010.030.020.010.010000124661024340.000.010.000.010.010.030.040.020.000.010.000.010.000.000.000.00100.7500.750.010.380.0110101010
Loop 16379 - fft5d.cpp:849-855 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16380 - fft5d.cpp:853-855 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
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.81.661.561.281.181.291.251.271.384.362.291.050.560.450.270.230.324.362.190.940.470.290.170.130.1912481632641280.000.110.160.200.340.440.420.430.000.150.120.080.070.060.040.06libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...1010.011.1601.1600.940.080.80.250.520.60.181.13
Loop 14190 - lincs.cpp:328-330 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14191 - lincs.cpp:328-328 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14196 - lincs.cpp:278-295 - libgromacs.so.8 [...]+000000000000000000000000010010020.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14197 - lincs.cpp:278-295 - libgromacs.so.8 [...]+0.770.70.610.540.620.630.710.642.011.020.510.240.260.170.150.192.010.980.450.220.140.090.080.0912481632641280.000.040.070.060.240.290.310.250.000.050.050.020.050.040.030.03101.0301.1201.1400.90.060.70.190.390.430.170.53
Loop 14198 - lincs.cpp:290-292 - libgromacs.so.80.540.490.430.390.430.390.360.461.420.710.340.230.130.090.060.161.420.690.320.160.10.050.040.0612481632641280.000.020.040.100.100.120.140.220.000.030.030.040.020.020.010.03101.0301.1101.1100.890.050.890.040.550.160.180.37
Loop 14199 - lincs.cpp:290-292 - libgromacs.so.8 [...]0.350.360.240.250.240.230.190.280.930.550.230.140.080.080.060.10.930.510.170.10.060.030.020.0412481632561090.000.040.100.110.130.160.130.200.000.060.070.040.030.020.010.03100.910.031.3701.1600.970.010.970.010.730.050.180.23
Loop 14192 - lincs.cpp:278-348 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14193 - lincs.cpp:278-348 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14194 - lincs.cpp:340-344 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14195 - lincs.cpp:340-344 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+libgromacs.so.81.040.970.960.831.080.70.450.272.721.390.730.360.320.120.080.072.721.360.710.330.250.10.050.0412481632641280.000.040.030.050.270.080.120.100.000.050.020.020.060.010.010.01libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...10100.960.041.0300.680.350.850.110.850.070.530.13
Loop 1132 - kernel_prune.cpp:76-176 - libgromacs.so.8 [...]+0.030.030.020.030.030.020.0100.080.060.020.020.010.010.0100.070.050.010.010.010001238141210140.000.020.010.020.010.020.020.000.000.020.010.010.000.000.000.00100.70.011.7500.8800.440.02101010
Loop 1133 - kernel_prune.cpp:115-167 - libgromacs.so.8 [...]1.010.940.950.81.040.690.440.272.651.360.710.360.310.120.070.072.641.320.70.320.240.090.050.0412481632641280.000.060.030.050.260.080.110.100.000.070.020.020.060.010.010.0110100.940.051.0300.690.320.920.060.820.080.520.13
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.80.930.740.790.80.880.830.790.922.431.10.760.360.30.160.130.232.431.030.580.320.20.120.080.1212481632641280.000.070.170.110.190.220.240.320.000.100.120.040.040.030.020.04libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.1801.0500.950.040.760.210.630.30.470.420.160.77
Loop 14469 - settle.cpp:425-425 - libgromacs.so.8 [...]0.830.660.710.720.80.750.70.812.170.950.680.340.260.150.120.22.170.920.520.290.180.10.070.1112481632641280.000.030.160.090.140.220.220.300.000.050.110.040.030.030.020.04101.1801.0400.940.050.750.20.680.240.480.360.150.69
Loop 14470 - settle.cpp:425-425 - libgromacs.so.8 [...]0.10.080.080.080.080.080.080.10.260.140.080.060.050.030.020.030.260.110.060.030.020.010.010.0112481628531130.000.040.030.030.060.050.050.060.000.050.030.010.010.010.000.01101.1801.0801.0800.810.010.810.010.410.050.20.08
Loop 14467 - settle.cpp:425-425 - libgromacs.so.8 [...]000000000000000000000000000010020.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14468 - settle.cpp:425-425 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
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.80.80.740.820.760.80.690.550.352.11.050.630.360.280.150.10.092.11.040.610.310.180.10.060.0512481632641280.000.010.030.110.180.180.170.120.000.020.020.040.040.020.020.02libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.0100.860.110.850.120.730.220.660.240.550.250.330.24
Loop 14189 - lincs.cpp:845-857 - libgromacs.so.8 [...]0.420.360.430.40.390.290.260.151.10.50.370.210.140.060.040.061.10.50.320.160.090.040.030.0212481632641240.000.000.050.110.100.110.090.080.000.000.040.040.020.010.010.01101.100.860.060.860.060.760.090.860.040.570.110.430.09
Loop 14187 - lincs.cpp:1133-1137 - libgromacs.so.8 [...]+0.020.020.040.020.010.010.0100.040.030.040.0200.01000.040.030.030.010000124761118140.000.000.020.010.000.000.000.000.000.010.010.000.000.000.000.00100.670.010.330.030.50.0110101010
Loop 14188 - lincs.cpp:1135-1137 - libgromacs.so.8 [...]0.240.230.210.210.240.220.170.110.640.330.190.110.090.050.050.040.630.330.160.080.060.030.020.0112481632611150.000.010.040.050.090.080.100.060.000.010.030.020.020.010.010.01100.950.010.9800.9800.660.080.660.080.490.090.490.06
Loop 14186 - lincs.cpp:1146-1146 - libgromacs.so.8 [...]0.010.020.010.010.010000.040.030.010.010.010.01000.040.0200.0100001225926140.000.010.000.010.010.030.000.000.000.010.000.000.000.000.000.001010100.50.0110101010
Loop 14176 - lincs.cpp:1265-1273 - libgromacs.so.80.010.010.020.010.010.020.0100.040.010.030.010.010.020.010.010.040.010.020.01000012466118110.000.000.010.010.020.030.030.010.000.000.010.000.000.000.000.0010200.50.010.50.0110101010
Loop 14177 - lincs.cpp:1252-1257 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14179 - lincs.cpp:1243-1245 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14180 - lincs.cpp:1243-1245 - libgromacs.so.800.0100000000.010.010000000.01000000022131240.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14181 - lincs.cpp:845-1223 - libgromacs.so.8 [...]+000000000000000000000000000011220.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14184 - lincs.cpp:966-978 - libgromacs.so.8 [...]0.080.090.080.080.110.130.090.060.210.150.080.060.060.050.030.030.210.130.060.030.020.020.010.011248163151990.000.020.030.030.070.090.070.040.000.020.020.010.010.010.010.01100.810.020.880.010.880.010.660.040.330.090.330.060.160.05
Loop 14183 - lincs.cpp:1205-1205 - libgromacs.so.8 [...]0.020.010.020.010.010.010.010.010.050.020.030.020.010.0100.010.040.010.010.01000012366810280.000.010.020.010.020.000.000.020.000.010.010.000.000.000.000.001020100.50.0110101010
Loop 14182 - lincs.cpp:1205-1205 - libgromacs.so.8 [...]000000000000000000000000000000130.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14185 - lincs.cpp:1146-1146 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14178 - lincs.cpp:1252-1257 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
mkl_dft_avx2_ownscDftInv_Prime8_32fclibmkl_avx2.so0.740.660.750.630.680.971.310.981.950.990.690.320.220.170.170.261.950.930.560.250.160.130.140.1312481632641280.000.060.140.120.190.170.240.310.000.080.100.050.040.020.020.04Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00101.0500.870.10.970.020.760.160.470.520.221.020.120.87
solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs.so.80.730.730.710.640.510.460.310.121.91.130.70.280.160.090.060.041.91.020.520.260.120.060.030.0212481632641200.000.120.170.060.080.120.120.070.000.170.120.020.020.020.010.01libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.930.050.910.060.910.060.990.010.9900.9900.740.03
Loop 16173 - pme_solve.cpp:233-560 - libgromacs.so.8 [...]+0.060.080.070.060.060.060.040.010.150.150.070.060.030.020.010.010.150.120.050.020.010.01001248162533380.000.030.020.040.030.050.030.020.000.050.020.020.010.010.000.00100.630.030.750.020.9400.9400.470.031010
Loop 16177 - pme_solve.cpp:233-233 - libgromacs.so.8 [...]0.220.190.150.170.160.130.090.030.580.30.120.080.060.040.020.020.580.270.110.070.040.020.0101248163049690.000.030.020.020.060.070.050.030.000.050.010.010.010.010.010.00101.0701.3201.0400.910.020.910.010.910.0110
Loop 16174 - pme_solve.cpp:554-559 - libgromacs.so.80.10.160.180.130.090.060.050.020.260.240.320.10.040.020.020.010.260.220.130.050.020.010.0101248162837420.000.020.170.060.040.030.050.020.000.020.130.030.010.000.010.00100.590.070.50.090.650.050.810.020.810.010.410.0310
Loop 16179 - pme_solve.cpp:533-542 - libgromacs.so.80.080.060.070.050.040.030.020.010.20.110.060.030.020.030.010.010.20.080.050.020.010001248121624290.000.030.020.020.030.050.020.010.000.050.020.010.010.010.000.00101.250101.2501.250101010
Loop 16181 - pme_solve.cpp:521-530 - libgromacs.so.80.080.070.060.070.060.050.030.010.210.120.050.050.020.030.020.010.210.10.050.030.010.01001248142234320.000.020.010.030.030.050.030.010.000.030.010.010.010.010.000.00101.05-01.05-00.880.011.3100.660.021010
Loop 16192 - pme_solve.cpp:456-469 - libgromacs.so.80.070.040.040.050.030.030.020.010.170.060.040.040.020.010.020.010.170.060.030.020.010001248121921280.000.000.020.030.030.020.040.010.000.000.020.010.010.000.000.00101.4201.4201.06-01.06-0101010
Loop 16183 - pme_solve.cpp:498-510 - libgromacs.so.80.040.030.030.030.010.020.010.010.10.040.030.020.010.0100.010.10.040.020.010000124771410150.000.010.010.010.010.010.000.010.000.010.000.010.000.000.000.00101.2501.2501.25010101010
Loop 16193 - pme_solve.cpp:440-453 - libgromacs.so.80.040.050.060.040.040.030.030.010.110.070.070.040.020.020.020.010.110.070.050.020.010001248141828290.000.010.020.030.030.030.030.010.000.010.020.010.010.000.000.00100.790.010.550.030.690.010.690.01101010
Loop 16185 - pme_solve.cpp:485-495 - libgromacs.so.80.020.030.030.020.010.010.0100.060.060.030.020.010.010.010.010.060.050.020.0100001245597140.000.020.010.020.020.020.020.010.000.020.010.010.000.000.000.00100.60.010.750.010.750.0110101010
Loop 16187 - pme_solve.cpp:233-233 - libgromacs.so.8 [...]0.020.010.010.020.010.010.0100.040.020.020.020.010.010.0100.040.020.010.0100001236451260.000.010.000.020.010.020.010.000.000.010.000.010.000.000.000.001010100.50.0110101010
Loop 16190 - pme_solve.cpp:472-474 - libgromacs.so.80.0100000.01000.0200.01000.01000.020000000111125240.000.000.000.000.000.020.000.000.000.000.000.000.000.000.000.00
Loop 16176 - pme_solve.cpp:233-233 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16184 - pme_solve.cpp:485-495 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16178 - pme_solve.cpp:533-542 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16189 - pme_solve.cpp:472-474 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16175 - pme_solve.cpp:554-560 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16191 - pme_solve.cpp:472-474 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16186 - pme_solve.cpp:233-233 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16188 - pme_solve.cpp:472-474 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16180 - pme_solve.cpp:521-530 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16182 - pme_solve.cpp:485-495 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
mkl_dft_avx2_ownscDftFwd_Prime8_32fclibmkl_avx2.so0.720.670.630.660.50.450.310.131.890.950.520.30.160.10.060.061.890.940.470.260.120.060.030.0212481632641230.000.010.060.080.110.120.140.090.000.020.040.030.020.020.010.01Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00101.01-01.01-00.910.060.980.010.980.010.9800.740.03
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.80.670.620.590.570.60.550.490.431.760.870.540.30.240.130.10.111.760.860.430.230.140.080.050.0612481632641280.000.010.110.110.180.180.190.190.000.020.080.050.040.020.020.02libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.0201.0200.960.020.790.130.690.170.550.220.230.33
Loop 15641 - bonded.cpp:1151-1170 - libgromacs.so.8 [...]0.670.620.590.570.60.540.490.431.760.870.540.30.240.130.10.111.760.860.430.230.140.070.050.0612481632641280.000.010.120.110.180.190.190.190.000.020.080.050.040.020.020.02101.0201.0200.960.020.790.130.790.120.550.220.230.33
spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.18]+libgromacs.so.80.60.90.960.871.231.541.510.991.571.280.750.370.390.250.210.231.571.270.710.350.280.210.160.1312481632641280.000.020.060.050.250.250.290.370.000.030.040.020.060.030.030.05libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.620.340.550.430.560.380.350.80.231.180.151.280.090.9
Loop 16310 - stl_uninitialized.h:318-687 - libgromacs.so.8 [...]+0000000.010.0100.01000000.0100.010000000111109360.000.000.000.000.000.000.000.010.000.000.000.000.000.000.000.00
Loop 16319 - pme_spread.cpp:104-133 - libgromacs.so.8 [...]0.600000001.5700000001.570000000100000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.001010101010101010
Loop 16313 - pme_spread.cpp:165-167 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16320 - pme_spread.cpp:104-145 - libgromacs.so.8 [...]00.780.80.711.041.211.180.801.120.630.30.330.210.170.1901.090.590.280.240.170.120.1102481632641280.000.030.070.060.220.220.270.330.000.050.050.020.050.030.030.041010101010101010
Loop 16318 - pme_spread.cpp:154-156 - libgromacs.so.8000000000000000000000000000000140.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16322 - pme_spread.cpp:96-98 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16317 - stl_uninitialized.h:318-318 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16321 - pme_spread.cpp:96-98 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16315 - stl_iterator.h:1603-1603 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16312 - pme_spread.cpp:172-174 - libgromacs.so.800.120.160.150.190.330.320.1800.170.140.080.070.080.060.0600.170.120.060.040.050.030.0202481632641270.000.010.030.030.070.130.120.090.000.010.020.010.020.020.010.011010101010101010
Loop 16314 - pme_spread.cpp:165-167 - libgromacs.so.8000000000000000000000000000000010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16311 - pme_spread.cpp:172-174 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16323 - pme_spread.cpp:96-98 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16316 - stl_uninitialized.h:318-318 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
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.80.580.570.50.490.430.320.210.081.530.860.420.270.130.070.060.031.530.790.370.20.10.040.020.0112481632631110.000.070.080.110.120.120.120.050.000.100.060.040.030.020.010.01libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.970.021.0300.960.020.960.021.201.201.20
Loop 15873 - pairs.cpp:863-884 - libgromacs.so.8 [...]0.580.570.50.490.430.320.210.081.530.860.420.270.130.070.060.031.530.790.370.20.10.040.020.0112481632631110.000.070.080.110.120.120.120.050.000.100.060.040.030.020.010.01100.970.021.0300.960.020.960.021.201.201.20
(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.80.530.510.460.440.380.310.240.11.40.720.370.220.110.070.050.031.40.720.340.180.090.040.030.0112481632641180.000.010.030.060.080.120.120.060.000.010.020.020.020.020.010.01libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.970.011.0300.970.010.970.011.0900.730.071.090
__intel_avx_rep_memcpy+gmx0.480.690.81.010.920.681.572.181.260.990.650.490.260.180.240.511.260.970.590.40.210.090.160.312481632641280.000.020.090.130.150.240.380.940.000.040.070.050.030.030.040.12Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00 100.650.240.530.370.390.610.380.580.440.380.121.380.032.11
Loop 92 - - gmx0.240.150.20.30.180.170.660.910.640.250.180.140.070.080.130.250.640.210.150.120.040.020.070.1212481631641280.000.040.040.060.060.130.230.460.000.060.030.030.010.020.020.06101.5201.0700.670.110100.140.570.040.87
Loop 91 - - gmx000000000.010000.0100.010.0300000000100110110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
__intel_avx_rep_memset+gmx0.470.390.530.880.920.760.731.011.240.60.470.410.270.160.140.31.240.550.390.350.210.10.080.1412481632641280.000.050.110.160.190.160.250.520.000.080.080.060.040.020.020.07Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00 101.1300.790.110.440.490.370.580.390.470.240.550.070.94
Loop 93 - - gmx0000000.010.1000000.010.010.0400000000.0100001381190.000.000.000.000.000.000.020.060.000.000.000.000.000.000.000.01
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.80.4600000001.210000000.011.210000000100133490.000.000.000.000.000.000.000.010.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00NANAlibgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...1010101010101010
Loop 14201 - lincs.cpp:376-391 - libgromacs.so.8 [...]0.4600000001.2100000001.210000000100000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.001010101010101010
Loop 14200 - lincs.cpp:396-409 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*)+libgromacs.so.80.430.40.360.380.290.270.230.091.130.570.320.220.10.060.050.041.130.560.260.150.070.040.020.0112481632641070.000.010.060.090.080.090.110.060.000.020.040.040.020.010.010.01libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.01-01.0900.940.021.01-00.880.030.880.030.880.01
Loop 5152 - pbc.cpp:911-915 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5153 - pbc.cpp:872-874 - libgromacs.so.8000000000000000000000000000200000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5164 - pbc.cpp:951-953 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5161 - pbc.cpp:959-961 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5155 - pbc.cpp:872-874 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5162 - pbc.cpp:951-953 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5157 - pbc.cpp:835-1018 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5160 - pbc.cpp:1005-1009 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5158 - pbc.cpp:1005-1009 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5159 - pbc.cpp:1005-1009 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5154 - pbc.cpp:864-866 - libgromacs.so.8000000000000000000000000000000110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5163 - pbc.cpp:959-961 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5156 - pbc.cpp:864-866 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
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.so.80.420.370.380.330.280.250.160.061.110.540.290.170.080.060.040.021.110.520.280.130.060.030.020.011248163261970.000.020.020.050.070.090.090.040.000.030.020.020.020.010.010.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.0700.9901.0701.1601.1600.870.020.870.01
Loop 15650 - bonded.cpp:2066-2126 - libgromacs.so.8 [...]0.420.370.380.330.280.250.160.061.110.540.290.170.080.060.040.021.110.520.280.130.060.030.020.011248163261970.000.020.020.050.070.090.090.040.000.030.020.020.020.010.010.00101.0700.9901.0701.1601.1600.870.020.870.01
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.80.380.390.480.840.50.470.430.5110.560.410.410.160.120.090.1310.550.350.340.110.070.040.0712481632641280.000.010.060.120.100.150.160.180.000.010.040.050.020.020.020.02libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.910.040.710.140.370.530.570.220.450.260.390.260.110.45
Loop 14603 - update.cpp:486-486 - libgromacs.so.8 [...]0.330.340.420.760.430.420.370.460.870.50.370.370.140.10.080.120.870.480.310.30.10.060.040.0612481632641280.000.020.070.110.100.130.160.180.000.030.050.040.020.020.020.02100.910.030.70.130.360.480.540.20.450.230.340.240.110.41
Loop 14607 - update.cpp:367-393 - libgromacs.so.8 [...]0.050.050.060.080.060.050.050.030.130.080.060.050.020.020.020.020.130.070.050.030.010.01001248162136740.000.010.020.030.030.040.040.030.000.020.010.010.010.010.000.00100.9300.650.020.540.040.810.010.410.031010
Loop 14606 - update.cpp:367-393 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14612 - update.cpp:1312-1353 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14613 - update.cpp:1312-1353 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14605 - update.cpp:367-393 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14602 - update.cpp:595-659 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14609 - update.cpp:367-393 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14614 - update.cpp:1130-1191 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14617 - update.cpp:881-902 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14600 - exception_ptr.h:195-196 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14611 - update.cpp:595-659 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14610 - update.cpp:367-393 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14615 - update.cpp:1130-1191 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14608 - update.cpp:486-486 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14604 - update.cpp:367-393 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14599 - exception_ptr.h:195-196 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14601 - update.cpp:595-659 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14616 - update.cpp:937-953 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
_ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@296libgromacs.so.80.360.290.320.270.230.190.140.060.940.460.30.120.090.050.040.020.940.410.240.110.050.030.010.0112481631591020.000.060.070.050.090.080.080.040.000.080.050.020.020.010.010.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.1500.980.011.0701.1700.9801.4700.730.02
mkl_dft_avx2_ownscDftInv_Fact4_32fclibmkl_avx2.so0.340.320.30.330.570.81.041.070.90.460.250.170.240.150.160.230.90.450.220.130.130.110.110.1412481632641280.000.010.060.070.380.140.220.290.000.020.040.030.080.020.020.04Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.0010101.0200.870.040.430.320.260.60.130.910.051.02
mkl_dft_avx2_ownscDftInv_Fact3_32fclibmkl_avx2.so0.340.30.280.280.240.220.160.070.880.470.230.140.070.050.040.020.880.420.210.110.050.030.020.0112481632621040.000.050.030.060.050.090.080.050.000.070.020.020.010.010.010.01Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00101.0501.050101.100.920.020.690.050.690.02
mkl_dft_avx2_ownscDftFwd_Fact4_32fclibmkl_avx2.so0.340.640.640.630.590.320.180.080.90.980.520.30.170.080.040.040.90.90.470.250.140.040.020.011248163262940.000.080.080.090.100.100.100.070.000.110.060.040.020.010.010.01Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00100.50.320.480.330.450.350.40.350.70.10.70.050.70.02
mkl_dft_avx2_ipps_cFFTfwd_64_32fclibmkl_avx2.so0.330.250.250.270.250.270.651.040.860.350.20.140.070.060.10.30.860.360.190.110.060.040.070.1412481632641280.000.000.040.050.060.100.210.500.000.000.030.020.010.010.020.06Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00101.1901.1300.980.010.90.030.670.090.190.530.050.99
mkl_dft_avx2_owns_cCcsRecombine_32flibmkl_avx2.so0.310.30.250.260.260.170.140.080.820.460.230.150.10.040.040.140.820.420.180.10.060.020.010.011248163053880.000.040.060.070.070.080.090.180.000.060.040.030.020.010.010.02Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00100.980.011.1401.0200.850.041.2801.2800.640.03
mkl_dft_avx2_ownscDftFwd_Fact3_32fclibmkl_avx2.so0.30.320.30.230.260.190.140.060.80.490.290.110.090.060.030.020.80.450.220.090.060.030.010.0112481632611050.000.050.080.030.090.080.080.030.000.070.060.010.020.010.010.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00100.890.040.910.031.1100.830.040.830.031.2500.630.02
mkl_dft_avx2_owns_cRealRecombine_32flibmkl_avx2.so0.260.230.240.320.651.142.343.660.680.330.210.150.170.220.310.740.680.330.180.130.150.160.250.512481632641280.000.010.050.040.080.180.371.140.000.010.030.020.020.020.040.15Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00101.0300.940.010.650.110.280.470.130.990.042.240.013.62
mkl_dft_avx2_ipps_cFFTinv_64_32fclibmkl_avx2.so0.260.270.230.220.180.150.110.060.680.390.220.120.060.050.040.060.680.370.170.090.040.020.010.011248163059840.000.020.060.050.050.100.080.090.000.020.040.020.010.010.010.01Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00100.920.02100.940.011.0601.0601.0600.530.03
copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)+libgromacs.so.80.250.240.240.230.430.560.731.050.660.480.250.160.230.180.180.340.660.340.170.090.10.080.080.141236122244890.000.150.030.120.290.300.280.510.000.210.020.050.060.040.030.07libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.970.010.970.010.920.020.410.250.260.420.130.640.041.01
Loop 1871 - atomdata.cpp:226-233 - libgromacs.so.80.250.240.230.230.430.560.731.040.650.480.250.160.230.180.180.340.650.340.170.090.10.080.080.141236112244870.000.150.040.120.250.300.280.460.000.210.030.050.060.040.030.06100.960.010.960.010.90.020.410.260.250.420.130.640.041
Loop 1876 - atomdata.cpp:161-163 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1877 - atomdata.cpp:154-158 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1872 - atomdata.cpp:207-214 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1869 - atomdata.cpp:240-247 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1874 - atomdata.cpp:193-200 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1870 - atomdata.cpp:240-247 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1867 - atomdata.cpp:180-184 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1868 - atomdata.cpp:172-176 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1873 - atomdata.cpp:207-214 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1875 - atomdata.cpp:161-163 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone .extracted]+libgromacs.so.80.180.230.230.270.20.140.10.050.480.320.210.140.070.040.020.020.480.320.170.110.050.020.010.011248163052900.000.010.050.070.080.070.050.030.000.010.030.030.020.010.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.750.060.710.070.550.120.60.080.750.040.750.030.380.03
Loop 1926 - atomdata.cpp:1118-1237 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1929 - atomdata.cpp:1142-1148 - libgromacs.so.8 [...]0.180.230.230.270.20.140.10.050.480.320.210.140.070.040.020.020.480.320.170.110.050.020.010.011248163052890.000.010.050.070.080.070.050.030.000.010.030.030.020.010.000.00100.750.060.710.070.550.120.60.080.750.040.750.030.380.03
Loop 1928 - atomdata.cpp:1132-1138 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1927 - atomdata.cpp:1122-1128 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
DftiComputeBackwardlibmkl_core.so0.170.160.140.130.120.10.070.030.440.250.110.070.040.030.030.020.440.230.10.050.030.010.0101248163047660.000.020.020.030.050.050.060.020.000.040.010.010.010.010.010.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00100.960.011.101.100.920.011.3800.690.0210
DftiComputeForwardlibmkl_core.so0.150.140.130.110.110.090.070.030.40.230.150.060.040.030.030.040.40.20.10.050.030.010.0101248162750700.000.020.050.030.050.050.050.050.000.040.040.010.010.010.010.01Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00101010100.830.021.2500.630.0310
bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*)libgromacs.so.80.150.10.140.10.10.080.050.020.390.150.140.060.040.030.010.010.390.140.10.040.020.010.0101248162843510.000.010.050.030.050.050.040.020.000.020.040.010.010.010.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.3900.9701.2201.2201.2200.610.0210
dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*)libgromacs.so.80.150.130.120.10.090.090.060.020.40.20.120.060.050.030.020.020.40.190.090.040.020.010.0101248153144530.000.010.030.030.040.060.050.020.000.020.020.010.010.010.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.0501.1101.2501.2501.2500.630.0210
energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)libgromacs.so.80.140.120.110.080.080.070.060.020.380.330.330.260.30.310.370.340.380.170.080.030.020.010.010111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.1201.1901.5801.1901.1900.590.0210
evaluate_single(float, float, float const*, float, float, float, float, float*, float*)libgromacs.so.80.140.120.110.130.080.090.070.020.360.180.10.070.040.020.020.010.360.170.080.050.020.010.0101248162844530.000.010.020.060.050.040.050.020.000.020.020.020.010.010.010.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.0601.1300.90.011.1301.1300.560.0310
gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) [clone .extracted]+libgromacs.so.80.110.10.150.10.230.440.630.650.280.180.130.060.090.10.150.140.280.140.110.040.050.060.070.0912481632641280.000.050.020.040.090.160.240.200.000.060.020.010.020.020.020.03libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...10100.640.050.880.010.350.150.150.380.060.590.020.63
Loop 14619 - update.cpp:1660-1664 - libgromacs.so.8 [...]0.110.10.150.10.220.440.630.650.280.180.130.060.090.10.150.140.280.140.110.040.050.060.070.0912481632641280.000.050.020.040.080.160.240.200.000.060.020.010.020.020.020.0310100.640.050.880.010.350.140.150.380.060.590.020.63
Loop 14618 - update.cpp:1660-1664 - libgromacs.so.8 [...]000000000000000000000000000000230.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
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.so.80.110.110.10.090.090.080.060.020.30.160.090.050.030.020.030.010.30.150.070.040.020.010.0101248152844460.000.010.020.040.040.040.050.020.000.010.010.020.010.010.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...10101.0700.940.010.940.010.940.010.470.0310
compute_1d_small_fwdlibmkl_avx2.so0.110.060.050.050.050.070.030.010.290.090.060.030.020.030.010.010.290.090.040.020.010.01001248142431310.000.010.020.020.030.050.020.020.000.010.010.010.010.010.000.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00101.6101.8101.8101.8100.910.011010
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.80.10.090.110.080.070.060.040.040.250.130.10.050.030.020.020.020.250.130.080.030.020.0100.011248162629820.000.010.020.030.030.040.040.030.000.010.010.010.010.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.9600.780.021.04-00.780.020.780.01100.20.03
Loop 14257 - md_support.cpp:113-157 - libgromacs.so.8 [...]+000000000000000000000000000000010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14258 - md_support.cpp:139-157 - libgromacs.so.8 [...]0.10.090.110.070.070.060.040.040.250.130.10.050.030.020.020.020.250.130.080.030.020.0100.011248162629810.000.010.020.030.030.040.040.030.000.010.010.010.010.000.000.00100.9600.780.021.04-00.780.020.780.01100.20.03
__libm_sincosf_e7gmx0.10.080.090.080.080.060.040.010.260.110.090.060.050.020.010.010.260.110.070.030.020.01001248162634460.000.000.020.050.050.040.040.010.000.000.020.020.010.000.000.00Exe (%): 100.00Exe (%): 100.00Exe (%): 100.00Exe (%): 100.00Exe (%): 100.00Exe (%): 100.00Exe (%): 100.00Exe (%): 100.00 101.1800.930.011.0800.810.010.810.011010
mkl_dft_avx2_ownscDftInv_PrimeFact_32fclibmkl_avx2.so0.10.10.10.080.050.070.040.020.250.140.110.060.040.020.020.010.250.140.070.030.010.01001248152735480.000.010.040.030.040.040.050.020.000.010.030.010.010.010.000.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00100.890.010.890.011.04-01.5600.780.021010
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.80.090.090.090.090.070.060.040.010.230.120.070.050.020.020.010.010.230.120.060.030.020.01001248162534370.000.000.010.030.030.050.030.010.000.000.010.010.010.010.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.9600.9600.9600.720.020.720.021010
Loop 15705 - bonded.cpp:1913-2011 - libgromacs.so.8 [...]+0.020.020.010.020.020.010.0100.050.040.010.020.010.010.0100.050.030.010.0100001246101010100.000.010.010.010.010.010.020.000.000.010.000.000.000.000.000.00100.8301.25-00.630.0110101010
Loop 15706 - bonded.cpp:1913-2008 - libgromacs.so.8 [...]0.070.070.070.060.050.050.030.010.180.10.060.040.020.020.010.010.180.090.050.020.010.01001248142128290.000.000.010.030.020.040.020.010.000.000.010.010.010.010.000.0010100.90.011.1301.1300.560.021010
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.80.090.120.270.230.340.310.460.30.230.20.260.120.110.070.090.090.230.170.20.090.080.040.050.0412481632641280.000.020.060.060.100.130.200.130.000.040.050.020.020.020.020.02libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.680.040.290.190.320.160.180.280.180.250.070.430.040.29
Loop 4839 - threaded_force_buffer.cpp:170-211 - libgromacs.so.8 [...]+0.010.010.010.010.020.010.010.010.020.010.010.010.020.010.010.010.020.010.010.010000124671110200.000.000.010.010.040.000.020.020.000.000.000.000.010.000.000.00
Loop 4843 - threaded_force_buffer.cpp:200-200 - libgromacs.so.8 [...]0.070.040.050.030.030.010.0100.190.060.040.030.050.010.020.010.190.050.040.010.010001244871280.000.010.010.020.070.010.040.010.000.010.010.010.020.000.000.00101.901.1902.3801.190101010
Loop 4844 - threaded_force_buffer.cpp:182-186 - libgromacs.so.8 [...]0.010.010000000.030.010000000.030.01000000120000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4840 - threaded_force_buffer.cpp:207-211 - libgromacs.so.8 [...]+00.020.050.030.030.030.040.0200.040.050.030.010.020.020.0200.030.040.010.010000247121733500.000.010.010.020.020.040.040.030.000.020.010.010.000.000.000.001010101010101010
Loop 4841 - threaded_force_buffer.cpp:209-211 - libgromacs.so.8 [...]00.050.130.140.190.130.180.0900.070.160.070.070.050.060.0500.070.10.050.040.020.020.0102481629601100.000.000.060.060.090.080.150.080.000.000.040.020.020.010.010.011010101010101010
Loop 4842 - threaded_force_buffer.cpp:209-211 - libgromacs.so.8 [...]000.0100.050.070.130.13000.0100.030.030.050.07000.0100.010.010.010.0200321124491130.000.000.010.000.040.070.130.100.000.000.010.000.010.010.010.011010101010101010
Loop 4845 - threaded_force_buffer.cpp:182-186 - libgromacs.so.8 [...]000.010.020.020.050.070.04000.010.020.010.020.020.02000.010.0100.010.010.01003682250890.000.000.000.020.020.030.040.030.000.000.000.010.000.000.000.001010101010101010
setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*)+libgromacs.so.80.0900000000.2300000000.230000000100000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00NANANANANANANAclang 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...1010101010101010
Loop 14504 - sim_util.cpp:466-466 - libgromacs.so.8 [...]0.0600000000.1700000000.170000000100000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.001010101010101010
Loop 14502 - sim_util.cpp:466-466 - libgromacs.so.8 [...]0.0200000000.0500000000.050000000100000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14503 - sim_util.cpp:466-466 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
__libm_erfcf_exgmx0.080.090.070.070.060.060.030.010.20.250.20.230.20.260.180.220.20.130.050.030.010.0100111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00 100.770.02100.830.011.2500.630.021010
__libm_atan2f_l9gmx0.080.090.10.10.090.050.050.020.220.130.090.050.040.020.020.020.220.130.080.040.020.010.0101248162640470.000.000.030.020.050.030.040.020.000.000.020.010.010.000.000.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00 100.850.010.690.030.690.030.690.030.690.020.340.0310
gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+libgromacs.so.80.080.110.160.280.360.270.390.270.210.160.150.150.150.080.10.120.210.160.120.110.080.040.040.0412481632631270.000.010.040.060.130.110.230.180.000.010.030.020.030.010.020.02libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.660.040.440.090.240.210.160.30.160.230.080.360.040.26
Loop 4901 - threaded_force_buffer.cpp:78-78 - libgromacs.so.8 [...]0.080.110.160.280.360.260.380.250.210.160.150.140.140.060.10.110.210.160.120.110.080.040.040.0312481632631270.000.010.040.060.130.110.230.180.000.010.030.020.030.010.020.02100.660.040.440.090.240.210.160.30.160.220.080.350.050.24
Loop 4899 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4890 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4897 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4895 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4900 - threaded_force_buffer.cpp:78-78 - libgromacs.so.8 [...]000000.010.010.02000000.010.010.010000000000001713450.000.000.000.000.000.000.010.020.000.000.000.000.000.000.000.00
Loop 4893 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4896 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4898 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4894 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4891 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4892 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo...+libgromacs.so.80.080.10.090.10.070.050.040.020.210.170.10.070.040.030.010.010.210.150.070.040.020.01001248152332380.000.020.030.050.050.040.030.020.000.040.020.020.010.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.70.030.750.020.660.030.660.020.660.021010
Loop 15696 - vec.h:141-335 - libgromacs.so.8 [...]0.080.10.090.10.070.050.040.020.210.170.10.070.040.030.010.010.210.150.070.040.020.01001248152332380.000.020.030.050.050.040.030.020.000.040.020.020.010.000.000.00100.70.030.750.020.660.030.660.020.660.021010
mkl_dft_avx2_ownscDftFwd_PrimeFact_32fclibmkl_avx2.so0.080.070.090.090.060.060.030.020.20.110.070.060.020.020.020.010.20.110.070.040.010.01001248152626400.000.000.010.030.030.040.040.020.000.010.010.010.010.010.000.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00100.910.010.710.030.630.031.2500.630.021010
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.80.080.070.050.060.070.070.030.020.20.120.080.040.040.030.020.010.20.10.040.020.020.01001248152425420.000.020.050.040.050.060.040.020.000.030.040.010.010.010.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...10101.2501.2500.630.030.630.031010
Loop 4128 - hashedmap.h:274-281 - libgromacs.so.8 [...]+0.050.040.020.040.040.040.010.010.140.070.040.040.020.020.010.010.140.050.020.020.010.01001226101716280.000.020.010.030.040.040.010.020.000.020.010.010.010.010.000.00101.401.7500.8800.8800.440.021010
Loop 4131 - stl_vector.h:1064-1064 - libgromacs.so.8 [...]+0.010.010.010.010.010.010.0100.020.010.010.010.010.010.0100.020.010.010000012247108110.000.000.000.010.020.010.050.000.000.000.000.000.000.000.000.00
Loop 4132 - hashedmap.h:277-281 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4129 - idef.h:245-247 - libgromacs.so.800.010.01000000.010.010.010.01000000.010.0100000123112120.000.000.010.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4130 - idef.h:245-247 - libgromacs.so.800000.010000000000000000000001040000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4133 - hashedmap.h:277-281 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
wrap_periodic_pmegrid(gmx_pme_t const*, float*)+libgromacs.so.80.0700000000.1700000000.170000000100000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00NANANANANANANAclang 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...1010101010101010
Loop 16060 - pme_grid.cpp:436-442 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16061 - pme_grid.cpp:438-442 - libgromacs.so.8+0.0100000000.0200000000.020000000100000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16062 - pme_grid.cpp:440-442 - libgromacs.so.80.0400000000.1100000000.110000000100000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.001010101010101010
Loop 16063 - pme_grid.cpp:440-442 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16052 - pme_grid.cpp:465-471 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16053 - pme_grid.cpp:467-471 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16055 - pme_grid.cpp:469-471 - libgromacs.so.80.0100000000.0200000000.020000000100000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16054 - pme_grid.cpp:469-471 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16056 - pme_grid.cpp:440-455 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16057 - pme_grid.cpp:451-455 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16059 - pme_grid.cpp:453-455 - libgromacs.so.80.0100000000.0300000000.030000000100000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16058 - pme_grid.cpp:453-455 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
mkl_dft_avx2_ippsFFTInv_CCSToR_32flibmkl_avx2.so0.060.050.070.040.040.030.020.020.160.080.050.030.030.020.010.030.160.070.050.020.010001247141819380.000.010.010.020.040.030.020.050.000.010.010.010.010.000.000.01Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00101.1400.80.011010101010
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.80.060.080.070.080.050.030.030.010.160.130.050.050.020.010.010.010.160.110.050.030.010001248141828320.000.020.010.030.030.020.030.010.000.030.010.010.010.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.730.020.80.010.670.0310101010
Loop 15872 - vec.h:141-345 - libgromacs.so.8 [...]0.060.080.070.080.050.030.030.010.160.130.050.050.020.010.010.010.160.110.050.030.010001248141828300.000.020.010.030.030.020.030.010.000.030.010.010.010.000.000.00100.730.020.80.010.670.0310101010
Loop 15871 - vec.h:141-345 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs.so.80.060.060.060.060.060.040.020.010.150.10.050.050.020.020.010.010.150.090.040.020.010.01001248152124260.000.020.010.030.030.030.030.010.000.020.010.010.010.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.830.010.9400.9400.9400.470.021010
atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone .extracted]+libgromacs.so.80.060.050.050.040.040.040.020.020.160.080.050.020.020.010.010.010.160.080.040.020.010.01001248132425600.000.010.020.010.030.020.020.020.000.010.010.010.010.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...10101010100.50.021010
Loop 14272 - mdatoms.cpp:266-437 - libgromacs.so.8 [...]+0.060.050.050.040.040.040.020.020.150.070.040.020.020.010.010.010.150.070.040.020.010.01001248132425600.000.010.010.010.030.020.020.020.000.010.010.010.010.000.000.00101.07-00.9400.9400.9400.470.021010
Loop 14271 - mtop_lookup.h:93-106 - libgromacs.so.8 [...]000000000.0100.010000000.01000000121031000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
mkl_serv_verbose_modelibmkl_core.so0.060.090.060.060.050.060.030.010.160.140.060.040.010.020.010.040.160.130.040.020.010.01001248162533340.000.020.020.030.020.040.020.050.000.030.010.010.000.010.000.01Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00100.620.031010100.50.031010
compute_1d_small_bwdlibmkl_avx2.so0.060.050.070.050.050.040.020.010.160.070.070.040.020.020.010.010.160.070.050.020.010.01001248162222340.000.010.020.030.020.040.030.020.000.010.020.010.010.000.000.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00101.1400.80.0110100.50.021010
compute_1d_small_fwdlibmkl_avx2.so0.050.060.030.040.030.040.020.020.130.090.040.030.030.020.010.010.130.080.030.020.010001248132121390.000.010.010.020.030.030.010.020.000.010.010.010.010.000.000.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00100.810.011.08-00.810.010.810.01101010
mkl_dft_avx2_ippsDFTInv_CToC_32fclibmkl_avx2.so0.050.040.040.030.030.020.020.010.130.050.040.030.020.010.0100.130.050.030.010.010001247131417210.000.000.010.020.020.020.020.000.000.000.010.010.000.000.000.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00101.301.08-01.6300.810.01101010
__libm_acosf_l9gmx0.040.040.040.030.040.030.020.010.110.060.040.020.020.020.0100.110.060.030.010.010001248131516180.000.010.010.020.020.030.030.000.000.010.010.010.000.000.000.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00 100.9200.9201.3800.690.01101010
__GI___printf_fp_llibc-2.28.so0.040.030.030.020.030.020.020.010.10.080.080.070.10.080.110.090.10.040.020.010.01000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00IO (%): 100.00IO (%): 100.00IO (%): 100.00IO (%): 100.00IO (%): 100.00IO (%): 100.00IO (%): 100.00IO (%): 100.00101.2501.2501.2500.630.01101010
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.80.040.030.040.040.040.080.050.020.120.050.040.030.020.030.020.020.120.050.030.020.010.010.0101248132642600.000.000.010.020.030.050.050.030.000.010.010.010.010.010.010.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.20100.750.010.750.010.380.050.190.0410
Loop 4115 - localtopology.cpp:738-788 - libgromacs.so.8 [...]+0.010.010.020.020.010.01000.040.020.020.020.010.01000.040.020.010.0100001244696130.000.010.010.010.010.020.000.000.000.010.000.010.000.000.000.001010100.50.0110101010
Loop 4119 - stl_vector.h:346-1762 - libgromacs.so.8 [...]+0.030.020.030.020.030.060.050.020.080.030.020.030.020.020.020.020.080.030.020.010.010.01001247122438530.000.000.010.020.020.040.050.020.000.000.000.010.000.000.000.00101.33010100.50.010.250.041010
Loop 4120 - hashedmap.h:277-281 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4118 - stl_algobase.h:2067-2081 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4116 - stl_vector.h:346-1762 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4117 - hashedmap.h:277-282 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4114 - stl_vector.h:353-353 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
__libm_expf_l9gmx0.040.030.030.040.040.020.020.010.110.090.090.130.130.080.140.130.110.050.020.020.01000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00 101.1-01.3800.690.010.690.01101010
mkl_dft_avx2_ippsDFTFwd_CToC_32fclibmkl_avx2.so0.040.060.050.050.040.020.020.010.110.10.040.030.020.010.010.010.110.090.030.020.010001248141222270.000.010.010.020.020.020.020.020.000.010.000.010.000.000.000.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00100.610.020.9200.690.020.690.01101010
__libm_exp_l9gmx0.040.040.060.050.040.030.020.010.110.130.160.160.140.140.130.130.110.060.040.020.01000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00 100.9200.690.020.690.020.690.01101010
mkl_dft_avx2_ippsFFTFwd_RToPerm_32flibmkl_avx2.so0.040.050.050.040.040.030.050.080.10.070.050.040.030.020.020.040.110.070.040.020.01000.0112471416401000.000.010.010.030.030.030.040.070.000.010.010.010.010.000.000.01Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00100.790.010.690.020.690.010.690.0110100.090.07
compute_1d_small_bwdlibmkl_avx2.so0.040.040.040.020.020.030.020.010.110.050.040.020.010.010.010.010.110.050.030.0100001247111517160.000.000.020.010.010.020.020.010.000.000.010.010.000.000.000.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00101.1-00.9201.38010101010
unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted]+libgromacs.so.80.040.060.080.070.060.080.220.220.110.10.080.040.030.020.050.110.110.090.060.030.010.010.020.031248163055920.000.010.030.030.030.040.130.180.000.020.020.010.010.010.010.02libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.610.020.460.040.460.040.690.020.340.050.090.20.030.21
Loop 16083 - pme_grid.cpp:529-539 - libgromacs.so.8+000000000.01000000000000000100000010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16084 - pme_grid.cpp:535-539 - libgromacs.so.8+00.0100000000.010.010000000.01000000021222230.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16085 - pme_grid.cpp:537-539 - libgromacs.so.80.040.060.080.070.050.080.220.220.10.090.080.040.030.020.050.10.110.080.060.030.010.010.020.031248153055910.000.020.030.030.030.040.130.180.000.020.020.010.010.010.010.02100.690.020.460.040.460.040.690.020.340.050.090.20.030.21
Loop 16086 - pme_grid.cpp:537-539 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>) [clone .extracted]+libgromacs.so.80.040.050.050.040.040.050.040.010.10.130.060.030.030.010.010.010.10.070.040.020.010.01001137142638270.000.000.030.010.040.030.030.010.000.000.020.000.010.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.710.010.630.020.630.010.630.010.310.031010
Loop 3964 - domdec_constraints.cpp:203-452 - libgromacs.so.8 [...]+000000000000000000000000000000010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3965 - stl_vector.h:346-1798 - libgromacs.so.8 [...]+0.010.030.030.020.020.030.0300.040.070.040.020.020.010.010.010.040.040.020.010.010001136101927120.000.000.020.010.020.010.020.010.000.000.020.000.000.000.000.00100.50.010.50.010.50.010.250.01101010
Loop 3969 - ga2la.h:112-126 - libgromacs.so.8 [...]+0.020.020.020.010.020.020.0100.060.050.030.010.010.010.010.010.060.030.0100000113691414130.000.000.020.010.020.020.010.010.000.000.010.000.000.000.000.0010101.501010101010
Loop 3970 - hashedmap.h:277-282 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3967 - ga2la.h:112-126 - libgromacs.so.8 [...]+000000000.0100.010000000000000102212310.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3968 - hashedmap.h:277-282 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3966 - mtop_lookup.h:93-106 - libgromacs.so.8 [...]000000000000.01000000000000010201200.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)+libgromacs.so.80.040.040.030.020.010.030.010.010.110.060.040.020.010.010.010.010.110.050.020.010000123571511280.000.010.010.020.010.020.030.020.000.020.010.010.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.1-01.3801.38010101010
Loop 2014 - grid.cpp:415-420 - libgromacs.so.80.020.020.020.020.010.010.0100.070.040.030.0200.010.010.010.070.030.010.010000123479760.000.010.010.010.000.010.020.020.000.010.010.000.000.000.000.00101.17-01.7500.88010101010
Loop 2017 - grid.cpp:329-407 - libgromacs.so.8 [...]+0.020.010.01000.010.010.010.050.020.010.0100.010.010.010.040.020.01000001222176220.000.000.000.000.000.010.020.020.000.000.000.000.000.000.000.001010101010101010
Loop 2019 - grid.cpp:397-400 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2018 - grid.cpp:385-387 - libgromacs.so.8 [...]00000000000000.010000000000010003010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2013 - grid.cpp:415-420 - libgromacs.so.8000000000000000000000000000000010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2015 - grid.cpp:426-431 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2016 - grid.cpp:426-431 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*...+libgromacs.so.80.030.020.040.020.030.020.010.010.090.040.040.040.030.030.010.010.090.040.030.010.01000124481012210.000.010.010.050.040.060.030.010.000.010.010.020.010.010.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.13-00.750.011.13-00.560.01101010
Loop 15651 - bonded.cpp:2179-2256 - libgromacs.so.8 [...]0.030.020.040.020.030.020.010.010.090.040.040.040.030.030.010.010.090.040.030.010.01000124481012200.000.010.010.050.040.060.030.010.000.010.010.020.010.010.000.00101.13-00.750.011.13-00.560.01101010
Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*)+libgromacs.so.80.030.020.020.030.010.020.010.010.080.030.040.0200.010.010.010.080.040.020.010000123651413360.000.000.030.010.000.020.030.020.000.000.020.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...1010101010101010
Loop 1993 - grid.cpp:598-605 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1990 - grid.cpp:531-536 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2001 - grid.cpp:921-923 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1997 - grid.cpp:476-483 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1998 - grid.cpp:504-511 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1999 - grid.cpp:504-511 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1991 - grid.cpp:531-536 - libgromacs.so.8 [...]000000000000000000000000001011010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1992 - grid.cpp:598-605 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2002 - grid.cpp:911-915 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2003 - grid.cpp:911-915 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2005 - grid.cpp:816-889 - libgromacs.so.8 [...]+000000000.0100000000.010000000101113020.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2008 - grid.cpp:823-834 - libgromacs.so.80.020.020.010.0200.020.010.010.050.030.010.0200.010.010.010.050.0200.010000121611111190.000.010.000.010.000.020.020.010.000.010.000.010.000.000.000.00101.250100.630.0110101010
Loop 2006 - grid.cpp:855-857 - libgromacs.so.8000000000.01000.01000000000000110100000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2007 - grid.cpp:855-857 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1996 - grid.cpp:476-483 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1994 - grid.cpp:633-633 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1995 - grid.cpp:633-633 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2004 - grid.cpp:911-915 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2000 - grid.cpp:921-923 - libgromacs.so.8000.01000000.0100.010000000000000102100250.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
mkl_dft_avx2_ippsDFTFwd_RToCCS_32flibmkl_avx2.so0.030.020.020.020.020.020.010.010.070.040.020.020.010.010.010.010.070.030.010.010000124781213190.000.020.010.010.020.020.020.010.000.020.000.010.000.000.000.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00101.17-01.7500.88010101010
mkl_dft_avx2_ippsDFTInv_CCSToR_32flibmkl_avx2.so0.030.020.020.020.020.020.0100.090.030.020.020.010.0100.010.090.020.020.01000012468151080.000.010.010.010.010.020.000.010.000.010.010.000.000.000.000.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00102.2501.13-01.13-010101010
mkl_dft_avx2_ippsDFTFwd_RToCCS_32f@pltlibmkl_avx2.so0.030.020.020.030.020.070.160.290.090.020.020.020.020.020.030.10.090.020.020.010.010.010.020.0412481127621250.000.000.010.020.020.040.080.150.000.000.010.010.000.010.010.02Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00Math (%): 100.00102.2501.13-01.13-00.560.010.280.050.070.150.020.28
std::vector<int, std::allocator<int> >::_M_default_append(unsigned long)libgromacs.so.80.030.030.020.020.020.010.0100.070.050.020.020.010.010.010.010.070.050.010.010.0100012441011680.000.010.010.020.010.010.020.030.000.010.010.010.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.70.011.7500.8800.440.01101010
Unknown functionlibgromacs.so.80.030.060.080.080.050.060.080.180.080.110.060.060.030.020.030.060.080.090.060.030.010.010.010.0212481524541240.000.020.000.040.030.040.050.110.000.030.000.010.010.010.010.01libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00 100.440.030.330.050.330.050.50.030.250.040.130.070.030.17
dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) [clone .extracted]+libgromacs.so.80.030.020.040.020.030.020.010.010.080.030.040.010.020.010.010.010.070.030.030.010.010001247101314260.000.000.020.010.020.010.010.010.000.000.010.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.17-00.580.020.8800.440.02101010
Loop 4397 - redistribute.cpp:74-428 - libgromacs.so.8 [...]+0.0100.0100.010.01000.030.010.0100.010000.030.010.0100000113166330.000.000.000.000.010.000.000.000.000.000.000.000.000.000.000.00
Loop 4399 - vec.h:141-198 - libgromacs.so.8 [...]+0.020.020.030.020.020.010.010.010.040.030.040.010.020.010.010.010.040.030.020.01000012479911230.000.000.010.010.020.000.020.010.000.010.010.000.000.000.000.00100.670.010.50.010.50.0110101010
Loop 4401 - redistribute.cpp:414-414 - libgromacs.so.8 [...]000000000.01000000000000000100000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4402 - redistribute.cpp:358-360 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4400 - redistribute.cpp:419-419 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4398 - redistribute.cpp:74-306 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4404 - redistribute.cpp:74-532 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4405 - redistribute.cpp:74-306 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4406 - vec.h:141-199 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4409 - redistribute.cpp:481-483 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4407 - redistribute.cpp:521-521 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4408 - redistribute.cpp:517-517 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4403 - redistribute.cpp:543-548 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3])+libgromacs.so.80.0300000000.0800000000.080000000100000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00NANANANANANANAclang 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 13612 - calcvir.cpp:61-67 - libgromacs.so.8 [...]0.0300000000.0800000000.080000000100000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13613 - calcvir.cpp:61-81 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13614 - calcvir.cpp:123-123 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
gmx::ListOfLists<int>::pushBack(gmx::ArrayRef<int const>)+libgromacs.so.80.020.020.010.010.010.010.0100.070.020.010.020.010.01000.070.030.010.010000122539950.000.000.000.010.010.000.000.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.17-01.7500.88010101010
Loop 4149 - vector.tcc:112-112 - libgromacs.so.8 [...]+000000000.0100.010000000000000101111410.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4150 - stl_algobase.h:383-385 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4155 - stl_algobase.h:383-385 - libgromacs.so.8000000000000000000000000010000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4157 - stl_algobase.h:383-385 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4152 - stl_algobase.h:383-385 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4153 - stl_algobase.h:383-385 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4151 - stl_algobase.h:383-385 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4156 - stl_algobase.h:383-385 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4154 - stl_algobase.h:383-385 - libgromacs.so.8000000000.01000000000000000110000100.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4158 - stl_algobase.h:383-385 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo...+libgromacs.so.80.020.010.010.010.0100.0100.050.010.020.020.020.0100.010.040.020.010.010000123443750.000.000.010.020.030.020.000.020.000.000.010.010.010.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...1010100.50.0110101010
Loop 15707 - bonded.cpp:2960-3032 - libgromacs.so.8 [...]0.020.010.010.010.0100.0100.050.010.020.020.020.0100.010.040.020.010.010000123443750.000.000.010.020.030.020.000.020.000.000.010.010.010.000.000.001010100.50.0110101010
calcVerletBufferSize(gmx_mtop_t const&, float, t_inputrec const&, int, int, float, VerletbufListSetup const&)+libgromacs.so.80.020.020.020.020.020.020.0100.060.060.070.060.090.070.030.010.050.030.020.010.01000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.8300.630.010.630.010.310.01101010
Loop 13567 - calc_verletbuf.cpp:828-830 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13566 - calc_verletbuf.cpp:828-830 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13562 - calc_verletbuf.cpp:483-1184 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13563 - calc_verletbuf.cpp:483-723 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13564 - calc_verletbuf.cpp:483-723 - libgromacs.so.8 [...]0.020.020.020.020.020.020.0100.060.060.070.060.090.070.030.010.050.030.020.010.01000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00100.8300.630.010.630.010.310.01101010
Loop 13565 - calc_verletbuf.cpp:852-854 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs.so.80.020.020.020.030.010.020.010.010.050.050.030.020.010.020.0100.050.030.020.010000124861310190.000.020.020.010.010.030.020.000.000.030.010.010.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.8300.630.010.630.0110101010
_intel_fast_memcpygmx0.020.010.030.020.020.010.010.010.050.010.030.020.010.010.010.010.040.010.020.010000124691011240.000.000.010.010.010.010.020.020.000.000.010.000.000.000.000.00Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00Memory (%): 100.00 10200.50.010.50.0110101010
sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted]+libgromacs.so.80.020.010.020.010.020.030.020.020.060.020.020.010.010.010.020.020.060.020.010.010.010001246122022530.000.010.000.010.010.030.030.030.000.010.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.501.500.7500.380.01101010
Loop 14507 - sim_util.cpp:149-150 - libgromacs.so.8 [...]0.020.010.020.010.020.030.020.020.060.020.020.010.010.010.020.020.060.020.010.010.010001245122021500.000.010.000.010.010.030.030.030.000.010.000.000.000.000.000.00101.501.500.7500.380.01101010
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.so.80.020.030.030.030.020.010.0100.040.040.040.020.010.01000.040.040.030.010.01000124711610160.000.010.010.010.020.030.000.000.000.010.010.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.50.010.330.020.50.010.250.01101010
Loop 4110 - localtopology.cpp:104-701 - libgromacs.so.8 [...]+0.010.020.020.020.020.010.0100.020.020.020.020.010.01000.020.020.020.0100001247868120.000.000.010.010.020.020.000.000.000.000.000.000.000.000.000.00
Loop 4111 - stl_algo.h:568-573 - libgromacs.so.8 [...]0.010.010.0100.010000.020.020.0200.010000.020.020.0100000124151240.000.010.010.000.010.000.000.000.000.010.010.000.000.000.000.00
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.80.020.020.020.010.030.020.010.010.050.050.050.030.110.090.080.080.040.030.0100.01000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.670.0110100.250.02101010
Loop 3948 - domdec_constraints.cpp:286-347 - libgromacs.so.8 [...]+0.010.010.010.010.010.010.0100.020.020.020.020.020.040.030.030.020.010.0100000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.0010100.50.011010101010
Loop 3950 - ga2la.h:112-126 - libgromacs.so.8 [...]+0.010.010.0100.020.010.0100.030.020.020.010.080.050.050.050.030.010.0100.01000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00101.500.750100.190.02101010
Loop 3951 - hashedmap.h:277-282 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3949 - mtop_lookup.h:93-106 - libgromacs.so.8 [...]0000000000000.0100000000000011010000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
_IO_vfprintflibc-2.28.so0.020.010.010.010.020.010.0100.050.020.030.040.050.050.050.040.040.010.010.010000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00IO (%): 100.00IO (%): 100.00IO (%): 100.00IO (%): 100.00IO (%): 100.00IO (%): 100.00IO (%): 100.00IO (%): 100.001020100.50.0110101010
unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted.30]+libgromacs.so.80.020.030.030.040.020.030.060.10.040.060.020.030.010.020.020.040.040.050.020.02000.010.01124691342940.000.010.010.020.020.030.060.080.000.010.010.010.000.000.010.01libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.40.020.50.010.250.0310100.060.060.030.1
Loop 16087 - pme_grid.cpp:512-522 - libgromacs.so.8+00000000000000.010000000000000001010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16088 - pme_grid.cpp:518-522 - libgromacs.so.8+000000000000000000000000000100000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16090 - pme_grid.cpp:520-522 - libgromacs.so.80.020.030.030.040.020.020.060.10.040.050.020.030.010.020.020.040.040.050.020.02000.010.01124691142940.000.000.010.020.020.040.060.080.000.010.010.010.000.000.010.01100.40.020.50.010.250.0310100.060.060.030.1
Loop 16089 - pme_grid.cpp:520-522 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted]+libgromacs.so.80.020.020.010.020.010.080.160.010.040.040.010.0300.020.030.010.040.030.010.0100.010.020123652861370.000.010.010.020.000.040.070.020.000.020.000.010.000.010.010.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.670.01100.50.01100.130.070.030.1510
Loop 15831 - manage_threading.cpp:336-397 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15833 - manage_threading.cpp:351-367 - libgromacs.so.8 [...]+000000000000000000000000000001210.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15834 - manage_threading.cpp:363-367 - libgromacs.so.8 [...]+00.010000000.010.0100.0100000.010.01000000122223310.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15835 - manage_threading.cpp:365-367 - libgromacs.so.8 [...]0.010.0100.0100.050.080.010.020.010.01000.020.020.010.020.010000.010.010122412353230.000.000.000.000.000.040.050.010.000.000.000.000.000.000.000.00
Loop 15836 - manage_threading.cpp:365-367 - libgromacs.so.8 [...]00.0100.0100.030.070.010.010.020.010.0200.010.020.010.010.0100000.010111321246180.000.000.000.010.000.020.050.010.000.000.000.010.000.000.000.00
Loop 15832 - utilities.h:57-57 - libgromacs.so.8 [...]000000000000000000000000000002000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
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.80.020.030.030.020.050.040.020.010.050.090.10.060.170.160.140.170.040.050.020.010.010.0100111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.40.020.50.010.50.010.250.040.130.041010
Loop 4276 - partition.cpp:448-450 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4286 - partition.cpp:1182-1186 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4287 - partition.cpp:931-935 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4288 - partition.cpp:665-917 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4290 - stl_algobase.h:235-259 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4289 - partition.cpp:875-903 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4278 - partition.cpp:468-470 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4254 - partition.cpp:448-450 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4283 - hashedmap.h:229-255 - libgromacs.so.8 [...]+00.010.010.010.010.01000.010.030.030.020.020.020.030.010.010.020.0100000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00100.250.010.250.011010101010
Loop 4284 - hashedmap.h:232-255 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4272 - partition.cpp:725-732 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4281 - utility.h:82-89 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4280 - utility.h:82-82 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4256 - partition.cpp:424-434 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4211 - partition.cpp:447-3368 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4243 - stl_algobase.h:383-385 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4249 - partition.cpp:2521-2523 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4252 - partition.cpp:2556-2560 - libgromacs.so.8 [...]00000000000.010.0100.0100.0100000000011111010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4230 - stl_algobase.h:383-385 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4231 - partition.cpp:2521-2523 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4225 - partition.cpp:448-450 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4253 - partition.cpp:450-468 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4248 - stl_algobase.h:383-385 - libgromacs.so.8000000.010000.01000.010.030.020.0200.01000000011011110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4223 - partition.cpp:2216-2220 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4220 - partition.cpp:3217-3231 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4221 - domdec_internal.h:249-251 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4212 - domdec_internal.h:249-251 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4237 - partition.cpp:2521-2523 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4236 - stl_algobase.h:383-385 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4244 - stl_algobase.h:383-385 - libgromacs.so.800000.0100.0100.010000.030.010.030.030.010000000100011110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.001010101010101010
Loop 4214 - partition.cpp:614-623 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4229 - stl_algobase.h:383-385 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4217 - partition.cpp:554-568 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4239 - stl_algobase.h:383-385 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4242 - partition.cpp:2521-2523 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4226 - hashedmap.h:290-293 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4241 - partition.cpp:2521-2523 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4215 - ga2la.h:112-114 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4216 - hashedmap.h:277-282 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4213 - partition.cpp:614-623 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4245 - partition.cpp:2521-2523 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4218 - partition.cpp:554-568 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4251 - partition.cpp:2556-2560 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4219 - partition.cpp:3217-3239 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4228 - stl_algobase.h:383-385 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4246 - partition.cpp:2521-2523 - libgromacs.so.8 [...]00.01000.010000.010.0300.010.020.020.020.040.010.02000000110111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00100.250.01101010101010
Loop 4224 - partition.cpp:450-450 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4227 - ga2la.h:156-158 - libgromacs.so.8 [...]00000000000000.0100.0300000000001111010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4247 - stl_algobase.h:383-385 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4240 - stl_algobase.h:383-385 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4222 - partition.cpp:3194-3196 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4250 - partition.cpp:2521-2523 - libgromacs.so.8 [...]000.0100000000.020.010.010.010.020.01000.0100000001111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4232 - partition.cpp:2521-2523 - libgromacs.so.8 [...]00000.010000.010000.020.0100.0100000000110011110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4233 - partition.cpp:2540-2540 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4234 - stl_algobase.h:383-385 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4235 - stl_algobase.h:383-385 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4238 - partition.cpp:2521-2523 - libgromacs.so.8 [...]000.0100.010000.010.010.0200.020.02000.010.010.0100000111111100.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4282 - ga2la.h:156-158 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4285 - ga2la.h:156-158 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4279 - partition.cpp:468-470 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4275 - partition.cpp:448-450 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4257 - partition.cpp:170-383 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4271 - partition.cpp:185-197 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4258 - partition.cpp:173-383 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4262 - partition.cpp:309-313 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4260 - partition.cpp:360-362 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4263 - partition.cpp:309-336 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4261 - partition.cpp:350-354 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4268 - partition.cpp:193-298 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4259 - partition.cpp:374-378 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4264 - partition.cpp:309-321 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4266 - partition.cpp:275-298 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4267 - partition.cpp:275-298 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4265 - partition.cpp:275-275 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4269 - partition.cpp:173-250 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4270 - partition.cpp:246-250 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4255 - partition.cpp:149-162 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4274 - utility.h:82-89 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4273 - utility.h:82-82 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4277 - partition.cpp:468-3157 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
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.so.80.010.010.010.020.010.010.0100.020.020.020.030.020.010.0100.020.020.010.010000123336690.000.000.010.030.030.030.020.000.000.000.010.010.010.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.50.010.50.010.250.0110101010
atan2fgmx0.010.01000.010000.030.010.0100.010.01000.030.01000000122032010.000.010.000.000.010.000.000.000.000.010.000.000.000.000.000.00Math (%): 100.00Math (%): 100.00Math (%): 100.00NAMath (%): 100.00Math (%): 100.00NAMath (%): 100.00
gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) [clone .extracted]+libgromacs.so.80.010.010.010.010.050.020.050.020.030.020.010.010.030.010.020.010.030.020.0100.0100.0101245111244450.000.010.010.010.050.010.040.010.000.010.000.000.010.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.7500.750100.190.04100.050.0510
Loop 14204 - lincs.cpp:1986-2260 - libgromacs.so.8 [...]+000000000000000000000000000000010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14205 - lincs.cpp:1986-2260 - libgromacs.so.8 [...]+00.010.0100.020.010.020.010.010.010.0100.0100.020.0100.0100000012338620170.000.000.000.000.010.000.040.010.000.000.000.000.000.000.000.00
Loop 14213 - lincs.cpp:2000-2005 - libgromacs.so.8 [...]00000.0100.0100.01000000.01000000000101070630.000.000.000.000.000.000.040.000.000.000.000.000.000.000.000.00
Loop 14215 - lincs.cpp:1992-1997 - libgromacs.so.8 [...]000000000.0100000000.010000000111131350.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14208 - stl_algo.h:1803-1846 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14209 - stl_algo.h:1806-1808 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14212 - lincs.cpp:2000-2005 - libgromacs.so.8 [...]0000000.0100.0100.0100000000000001122301050.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14206 - stl_algobase.h:741-742 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14207 - stl_algo.h:1806-1808 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14214 - lincs.cpp:1992-1997 - libgromacs.so.8 [...]00000.020.010.020.010.010000.010.010.010.010000000011118622160.000.000.000.000.020.000.010.010.000.000.000.000.010.000.000.00
Loop 14210 - stl_algo.h:1806-1826 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14211 - stl_algo.h:1806-1808 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
unwrap_periodic_pmegrid(gmx_pme_t*, float*)+libgromacs.so.80.010.020.020.020.020.030.020.010.020.050.050.070.070.120.10.20.020.030.010.010000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.330.010.50.010.250.0110101010
Loop 16064 - pme_grid.cpp:496-504 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16065 - pme_grid.cpp:500-504 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16067 - pme_grid.cpp:502-504 - libgromacs.so.80.010.020.020.020.020.030.020.010.020.050.050.070.070.120.10.20.020.030.010.010000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00100.330.010.50.010.250.0110101010
Loop 16066 - pme_grid.cpp:502-504 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
make_dd_indices(gmx_domdec_t*, int)+libgromacs.so.80.0100.01000.010.0100.0200.020.010.010.020.070.050.0200.0100000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...10100.50.011010101010
Loop 4297 - partition.cpp:514-539 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4298 - hashedmap.h:144-204 - libgromacs.so.8 [...]+0.0100.01000.010.0100.0200.020.010.010.020.070.050.0200.0100000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.0010100.50.011010101010
Loop 4299 - hashedmap.h:187-189 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4300 - hashedmap.h:167-167 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
mkl_serv_verbose_mode@pltlibmkl_core.so0.0100000000.0300000000.030000000110202200.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00Math (%): 100.00Math (%): 100.00NAMath (%): 100.00NAMath (%): 100.00Math (%): 100.00NA
hack_digitlibc-2.28.so0.010.010.010.010.010000.020.010.030.020.020.0100.020.020.010.0100000111111010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00System (%): 100.00System (%): 100.00System (%): 100.00System (%): 100.00System (%): 100.00System (%): 100.00NASystem (%): 100.0010100.50.011010101010
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.so.80.010.020.0100.0100.0100.030.040.010.010.0100.010.010.030.030.01000001242446110.000.000.000.010.010.000.020.020.000.010.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.50.010.7501010101010
Loop 15654 - bonded.cpp:196-2327 - libgromacs.so.8 [...]0.010.020.0100.0100.0100.030.040.010.010.0100.010.010.030.030.01000001242346100.000.000.000.010.010.000.020.020.000.010.000.000.000.000.000.00100.50.010.7501010101010
mk_mshift(_IO_FILE*, t_graph*, PbcType, float const (*) [3], float const (*) [3])+libgromacs.so.80.010.010.010.0100.01000.030.020.030.030.010.030.030.020.030.010.0100000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.500.7501010101010
Loop 5057 - stl_vector.h:919-1173 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5058 - mshift.cpp:677-681 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5059 - mshift.cpp:786-788 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5061 - mshift.cpp:455-769 - libgromacs.so.8 [...]+000000000.01000000000000000101001100.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5056 - mshift.cpp:655-657 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5063 - mshift.cpp:455-769 - libgromacs.so.8 [...]+000.01000000.0100.010.010000.010.010000000101100110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5062 - mshift.cpp:655-657 - libgromacs.so.8 [...]000000000.01000000000000000100000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5070 - mshift.cpp:655-657 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5064 - mshift.cpp:455-714 - libgromacs.so.8 [...]+00.0100000000.02000.0100.020.0100.01000000010111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5065 - mshift.cpp:456-714 - libgromacs.so.8 [...]+000000000.0100.010.0100.01000.010000000101111010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5066 - mshift.cpp:472-474 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5068 - mshift.cpp:464-466 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5067 - mshift.cpp:472-474 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5069 - mshift.cpp:464-466 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5071 - mshift.cpp:655-657 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5060 - mshift.cpp:786-788 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 5072 - mshift.cpp:714-716 - libgromacs.so.8000000000000000000000000000001000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)+libgromacs.so.80.010.010.020.010.010.010.0100.030.020.010.010.010.01000.030.020.01000001246559100.000.010.010.010.020.020.000.000.000.010.000.000.010.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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 16327 - fft.cpp:132-140 - libgromacs.so.80.010.010.010.010.010.01000.030.020.010.010.010.01000.030.020.0100000124555650.000.010.010.000.010.020.000.000.000.010.000.000.000.000.000.00
globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)+libgromacs.so.80.010.020.010.010.010.020.0100.040.030.010.010.010.010.0100.040.030.01000001244313990.000.000.000.010.020.020.020.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.670.01101010101010
Loop 4410 - reversetopology.cpp:141-146 - libgromacs.so.800.010.01000.01000.010.020.010.010.010.01000.010.02000000123228460.000.010.000.010.020.000.000.000.000.010.000.000.000.000.000.00
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.80.010.010.010.0100.010.010.010.020.020.010.010.0100.0100.020.020.010000012352510170.000.010.000.010.020.000.020.000.000.010.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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 [...]0.010.010.010.0100.010.010.010.020.020.010.010.0100.0100.020.020.010000012352510170.000.010.000.010.020.000.020.000.000.010.000.000.000.000.000.00
Loop 2023 - grid.cpp:1241-1346 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
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.so.80.010.0100.010.010.010.010.010.020.030.010.030.020.040.080.10.020.02000000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.50.01101010101010
Loop 2034 - grid.cpp:1464-1468 - libgromacs.so.8 [...]0.010.0100.010.010.010.0100.020.030.010.020.020.030.070.080.020.02000000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00100.50.01101010101010
Loop 2030 - grid.cpp:672-697 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2031 - grid.cpp:678-678 - libgromacs.so.8 [...]000000000.01000000.010.0200000000100100110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2028 - grid.cpp:1512-1514 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2032 - grid.cpp:1476-1478 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2029 - grid.cpp:1512-1514 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2033 - grid.cpp:1476-1478 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2027 - grid.cpp:1512-1514 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2036 - grid.cpp:1436-1443 - libgromacs.so.8+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2037 - grid.cpp:1438-1440 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2035 - vector.tcc:514-603 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2024 - grid.cpp:745-1391 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2025 - grid.cpp:748-1391 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2026 - grid.cpp:707-712 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2038 - grid.cpp:1391-1414 - libgromacs.so.8 [...]+000000000000000000000000000001000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2039 - grid.cpp:1402-1404 - libgromacs.so.8 [...]000000000000000000000000000000010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool)+libgromacs.so.80.0100000000.02000.010.010.010.010.010.020000000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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 13569 - new_allocator.h:127-162 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13583 - calc_verletbuf.cpp:195-414 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13587 - stl_uninitialized.h:578-578 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13586 - stl_uninitialized.h:578-578 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13584 - calc_verletbuf.cpp:195-389 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13574 - calc_verletbuf.cpp:195-335 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13575 - calc_verletbuf.cpp:195-335 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13580 - calc_verletbuf.cpp:228-231 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13578 - calc_verletbuf.cpp:197-234 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13581 - calc_verletbuf.cpp:228-231 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13582 - calc_verletbuf.cpp:288-305 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13576 - calc_verletbuf.cpp:275-277 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13577 - calc_verletbuf.cpp:275-277 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13579 - calc_verletbuf.cpp:197-234 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13585 - calc_verletbuf.cpp:195-389 - libgromacs.so.8 [...]000000000.01000000000000000100000100.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13570 - calc_verletbuf.cpp:163-439 - libgromacs.so.8 [...]+000000000000000000000000000000010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13572 - stl_uninitialized.h:1031-1031 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13573 - calc_verletbuf.cpp:163-177 - libgromacs.so.8 [...]000000000.01000.010.010.0100.010.010000000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13571 - stl_uninitialized.h:1031-1031 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13568 - calc_verletbuf.cpp:447-458 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
__strchrnul_avx2libc-2.28.so0.010.0100.0100000.020.0200.020.010000.020.01000000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00String (%): 100.00String (%): 100.00String (%): 100.00String (%): 100.00String (%): 100.00String (%): 100.00String (%): 100.00String (%): 100.00
gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone .extracted]+libgromacs.so.80.010.020.020.010.010.010.020.010.040.020.020.010.010.010.010.010.040.020.010.01000012454620330.000.000.010.010.010.020.010.020.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...1010100.50.0110101010
Loop 14220 - lincs.cpp:1298-1403 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14221 - lincs.cpp:1301-1374 - libgromacs.so.8 [...]+000000000000000000.01000000021010220.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14222 - lincs.cpp:1305-1374 - libgromacs.so.8 [...]+0.010.010.020.010.010.010.020.010.040.020.020.010.010.010.010.010.040.020.010.01000012454618310.000.000.010.010.010.020.010.010.000.000.010.000.000.000.000.001010100.50.0110101010
Loop 14223 - lincs.cpp:1341-1374 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+libgromacs.so.80.010.020.010.010.020.010.0100.040.040.010.010.010.0100.010.040.030.01000001235877120.000.010.000.010.020.020.000.010.000.010.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.670.01101010101010
Loop 16048 - pme_grid.cpp:395-404 - libgromacs.so.8+0.010.020.010.010.020.01000.040.040.010.010.010.0100.010.040.030.01000001235876110.000.010.000.010.020.020.000.010.000.010.000.000.000.000.000.00100.670.01101010101010
Loop 16051 - pme_grid.cpp:402-404 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16050 - pme_grid.cpp:402-404 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16049 - pme_grid.cpp:402-404 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
_IO_file_xsputnlibc-2.28.so0.010.010.0100.010000.020.020.030.010.040.020.010.010.020.010.0100000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00IO (%): 100.00IO (%): 100.00IO (%): 100.00IO (%): 100.00IO (%): 100.00IO (%): 100.00IO (%): 100.00IO (%): 100.0010100.50.011010101010
gmx::makeAtomsToConstraintsList(int, gmx::ArrayRef<InteractionList const>, gmx::ArrayRef<t_iparams const>, gmx::FlexibleConstraintTreatment)+libgromacs.so.80.0100.0100.010000.030.010.0200.030.010.010.020.030.010.0100000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.5-00.7501010101010
Loop 13630 - constr.h:220-220 - libgromacs.so.8 [...]0.0100.0100.010000.0200.0100.020.0100.010.020000000111011110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13629 - constr.h:220-220 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13631 - constr.cpp:895-898 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13634 - constr.h:220-220 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13635 - constr.h:220-220 - libgromacs.so.8 [...]0000000000000.0100000000000000111000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13632 - constr.cpp:895-897 - libgromacs.so.8000000000.010000000.0100000000111010110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13633 - constr.cpp:895-897 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*)+libgromacs.so.80.010.010.010.0200000.030.020.020.060.010.020.010.030.030.010.010.010000111111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...101.500.7500.380.0110101010
Loop 4392 - redistribute.cpp:91-100 - libgromacs.so.8 [...]0.0100000000.02000.010000.010.020000000100111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4393 - stl_vector.h:1046-1064 - libgromacs.so.8 [...]000000000000.0100.010000000000011101010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4390 - redistribute.cpp:91-100 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4395 - stl_vector.h:919-940 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4391 - redistribute.cpp:91-100 - libgromacs.so.8 [...]000000000.0100.0100000.010.010000000111100110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4388 - hashedmap.h:229-255 - libgromacs.so.8 [...]+000000000.01000.01000000000000100100000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4389 - hashedmap.h:232-255 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4396 - stl_vector.h:919-1798 - libgromacs.so.8 [...]0000000000.0100.010.0100000.01000000011110110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4394 - redistribute.cpp:711-713 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4383 - redistribute.cpp:74-961 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4382 - redistribute.cpp:776-811 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4385 - stl_vector.h:346-1798 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4386 - redistribute.cpp:74-899 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4387 - redistribute.cpp:868-870 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 4384 - utility.h:82-88 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
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.80.0100000000.0200000000.020000000100110010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00NANAlibgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00NANAlibgromacs.so.8 (%): 100.00clang 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 13622 - constr.cpp:688-690 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13625 - constr.cpp:680-680 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13624 - constr.cpp:688-690 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13623 - constr.cpp:688-690 - libgromacs.so.8000000000000000000000000000010000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13626 - constr.cpp:680-680 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_vcm*) [clone .extracted]+libgromacs.so.80.010.010000000.020.010.01000000.020.01000000121012410.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00NAlibgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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 14736 - vcm.cpp:143-215 - libgromacs.so.8 [...]0.010.010000000.020.010.01000000.020.01000000121011310.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 14737 - vec.h:292-294 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)+libgromacs.so.80.010.020.010.020.020.010.010.010.030.030.010.020.010.020.010.010.030.030.010.0100001236978190.000.000.010.010.010.030.020.010.000.010.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.50.010.7500.380.0110101010
Loop 16326 - fft.cpp:115-123 - libgromacs.so.80.010.020.010.010.010.010.0100.030.020.010.020.010.020.010.010.030.020.010.0100001236676120.000.000.010.010.010.030.020.010.000.000.000.000.000.000.000.00100.750.010.7500.380.0110101010
__libm_exp_k32gmx0.01000.0100000.0200.010.0300.010.010.020.020000000101111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00Exe (%): 100.00NAExe (%): 100.00Exe (%): 100.00Exe (%): 100.00Exe (%): 100.00Exe (%): 100.00Exe (%): 100.00
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.80.010.01000.010.020.020.020.020.0300.010.010.010.010.020.020.02000000111151317490.000.000.000.000.010.020.020.030.000.000.000.000.000.000.000.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...100.50.01101010101010
Loop 2009 - grid.cpp:1032-1093 - libgromacs.so.8 [...]+000000000000000000000000000000100.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2012 - grid.cpp:1068-1087 - libgromacs.so.8 [...]0.010.01000.010.020.010.020.020.0300.010.010.010.010.020.020.02000000111151316490.000.000.000.000.010.020.020.030.000.000.000.000.000.000.000.00100.50.01101010101010
Loop 2011 - grid.cpp:1091-1093 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 2010 - grid.cpp:1091-1093 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
__tls_get_addrld-2.28.so000.01000000000000000000000003011490.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00NANASystem (%): 100.00NASystem (%): 100.00System (%): 100.00System (%): 100.00System (%): 100.00
void __kmp_dispatch_deo<unsigned int>(int*, int*, ident*)libiomp5.so00.010.040.090.150.250.350.3200.030.040.040.030.040.040.0500.020.030.030.030.030.040.0401371531631270.000.000.000.000.010.030.040.040.000.000.000.000.000.000.000.01NAOMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.001010101010101010
__GI___sched_yieldlibc-2.28.so00.010.020.030.030.050.090.1300.020.020.020.020.020.030.0400.010.010.010.010.010.010.0201371324501150.000.000.010.010.020.040.060.080.000.000.010.000.000.010.010.01NASystem (%): 100.00System (%): 100.00System (%): 100.00System (%): 100.00System (%): 100.00System (%): 100.00System (%): 100.001010101010101010
__kmp_join_calllibiomp5.so00.0100000000.010000.010.010.0200.01000000011011110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00NAOMP (%): 100.00OMP (%): 100.00NAOMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00
_ZN17_INTERNAL1311483b26__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0libiomp5.so03.091.461.241.161.11.050.808.664.282.681.621.231.453.7504.351.080.50.270.150.110.11021361129780.004.360.003.343.072.633.013.340.006.120.001.340.690.360.310.45NAOMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.001010101010101010
setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)+libgromacs.so.80000.040.020.020.010.010000.130.060.10.090.090000.020000000111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00NANANAlibgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...1010101010101010
Loop 15814 - manage_threading.cpp:306-320 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15813 - utilities.h:57-57 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15816 - manage_threading.cpp:313-318 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15815 - manage_threading.cpp:313-318 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15824 - manage_threading.cpp:91-99 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15817 - manage_threading.cpp:91-99 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15826 - manage_threading.cpp:195-292 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15825 - utilities.h:57-57 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15828 - manage_threading.cpp:247-247 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15827 - manage_threading.cpp:247-247 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15829 - manage_threading.cpp:260-274 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15830 - manage_threading.cpp:270-274 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15818 - manage_threading.cpp:114-177 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15819 - manage_threading.cpp:175-177 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15820 - manage_threading.cpp:175-177 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 15821 - manage_threading.cpp:127-175 - libgromacs.so.8 [...]+0000.010.010.010.0100000.040.030.040.040.060000.010000000111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.001010101010101010
Loop 15822 - manage_threading.cpp:144-146 - libgromacs.so.80000.030.010.010.0100000.080.030.060.050.030000.010000000111110.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.001010101010101010
Loop 15823 - manage_threading.cpp:144-162 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check()libiomp5.so00.090.110.160.280.450.70.9700.210.160.10.10.110.110.2400.130.080.060.060.060.070.1302481632641280.000.080.070.060.100.140.200.350.000.110.050.020.020.020.020.04NAOMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.001010101010101010
set_pbc_simd(t_pbc const*, float*)+libgromacs.so.8000000.010.010.01000000.010.010.010000000000000510310.000.000.000.000.000.020.020.020.000.000.000.000.000.000.000.00NANANANANAlibgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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.80000000000000000.01000000000000031110.000.000.000.000.000.000.000.010.000.000.000.000.000.000.000.00
Loop 5223 - pbc_simd.cpp:59-61 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
clearForceBuffer(nbnxn_atomdata_t*, int)+libgromacs.so.800.170.310.620.731.313.948.5600.280.250.30.220.310.621.8700.250.230.250.170.180.411.1602481632641280.000.040.050.100.150.431.253.480.000.060.030.040.030.060.120.45NAlibgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...1010101010101010
Loop 2070 - kernel_common.cpp:56-76 - libgromacs.so.8 [...]00.170.310.620.731.313.948.5600.280.250.30.220.310.621.8700.250.230.250.170.180.411.1602481632641280.000.040.050.100.150.431.253.480.000.060.030.040.030.060.120.451010101010101010
gmx::ThreadForceBuffer<float [4]>::processMask()+libgromacs.so.80000000.0100000000.010000000000000007100.000.000.000.000.000.000.020.000.000.000.000.000.000.000.000.00NANANANANANAlibgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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 4889 - stl_vector.h:346-1762 - libgromacs.so.8 [...]0000000.0100000000.010000000000000007100.000.000.000.000.000.000.020.000.000.000.000.000.000.000.000.00
_INTERNAL1311483b::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*)libiomp5.so00.090.320.290.310.340.330.3500.250.930.610.410.250.41.7200.130.230.110.070.050.030.05011571632740.000.000.000.660.760.790.881.530.000.000.000.260.170.100.090.21NAOMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.001010101010101010
nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]+libgromacs.so.800.120.210.350.520.92.143.6400.20.180.180.160.180.310.7900.160.160.140.120.120.220.4902481632641280.000.040.030.080.110.210.541.480.000.050.020.030.020.030.050.19NAlibgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...1010101010101010
Loop 1930 - atomdata.cpp:1022-1192 - libgromacs.so.8 [...]+000000000000000000000000010000130.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 1931 - atomdata.cpp:1022-1192 - libgromacs.so.8 [...]+00.030.040.030.030.020.010.0100.050.040.020.020.010.020.0100.050.030.010.010000247121411250.000.000.010.010.030.020.050.020.000.000.010.000.010.000.010.001010101010101010
Loop 1938 - atomdata.cpp:1176-1180 - libgromacs.so.8 [...]00.030.030.060.040.020.030.0100.050.030.050.020.020.040.0100.040.020.020.010000248151122190.000.020.010.030.020.040.070.010.000.020.010.010.000.000.010.001010101010101010
Loop 1939 - atomdata.cpp:1176-1180 - libgromacs.so.8 [...]0000.040.10.190.230.180000.030.060.060.050.060000.010.020.030.020.0200081532641280.000.000.000.020.080.090.100.090.000.000.000.010.020.010.010.011010101010101010
Loop 1932 - atomdata.cpp:1075-1080 - libgromacs.so.8 [...]+00.020.010.020.0200000.040.020.030.0200.020.0100.030.010.0100000224723100.000.010.000.030.030.000.060.010.000.010.000.010.010.000.010.001010101010101010
Loop 1934 - atomdata.cpp:1078-1080 - libgromacs.so.8 [...]00000.010.040.080.08000000.030.080.21000000.010.010.01000041219250.000.000.000.000.000.080.260.430.000.000.000.000.000.010.030.061010101010101010
Loop 1933 - atomdata.cpp:1078-1080 - libgromacs.so.8 [...]00.020.040.060.070.10.110.0300.030.070.070.080.130.150.0800.030.030.020.020.010.01002459911200.000.010.040.080.120.320.510.180.000.010.030.030.030.040.050.021010101010101010
Loop 1935 - atomdata.cpp:1088-1093 - libgromacs.so.8 [...]+00.010.060.060.070.110.280.3100.040.10.050.030.050.090.1700.020.040.020.020.010.030.0401361424581150.000.000.050.030.040.090.220.250.000.000.040.010.010.010.020.031010101010101010
Loop 1936 - atomdata.cpp:1091-1093 - libgromacs.so.8 [...]000.040.090.190.240.810.52000.060.070.070.10.170.25000.030.040.040.030.080.0700361329621220.000.000.030.050.070.190.410.390.000.000.020.020.010.030.040.051010101010101010
Loop 1937 - atomdata.cpp:1091-1093 - libgromacs.so.8 [...]000000.170.582.5000000.060.20.7000000.020.060.340000027591240.000.000.000.000.000.110.501.300.000.000.000.000.000.010.050.171010101010101010
calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3]) [clone .extracted]+libgromacs.so.800.030.040.060.030.020.010.0100.050.050.040.020.010.010.0100.040.030.020.01000024881515290.000.010.030.030.030.020.030.010.000.020.020.010.010.000.000.00NAlibgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...1010101010101010
Loop 13615 - calcvir.cpp:61-120 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13616 - calcvir.cpp:61-67 - libgromacs.so.8 [...]00.030.040.060.030.020.010.0100.050.050.040.020.010.010.0100.040.030.020.01000024881515260.000.010.030.030.030.020.030.010.000.020.020.010.010.000.000.001010101010101010
Loop 13617 - calcvir.cpp:61-120 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 13618 - calcvir.cpp:61-81 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
gmx_reverse_top_t::hasIntermolecularInteractions() constlibgromacs.so.800.010.010000000.010.010000000.01000000022101020.000.010.000.000.000.000.000.000.000.010.000.000.000.000.000.00NAlibgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00NAlibgromacs.so.8 (%): 100.00NAlibgromacs.so.8 (%): 100.00clang 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...
rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone .extracted]+libgromacs.so.8000.080.130.070.140.040.02000.070.050.030.030.010.01000.060.050.020.02000048163139500.000.000.010.010.030.060.030.020.000.000.010.000.010.010.000.00NANAlibgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...1010101010101010
Loop 3524 - pairlist.cpp:2998-2998 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 3525 - pairlist.cpp:3724-3829 - libgromacs.so.8 [...]+0000000000000000.0100000000000000070.000.000.000.000.000.000.000.010.000.000.000.000.000.000.000.00
Loop 3526 - pairlist.cpp:3724-3829 - libgromacs.so.8 [...]+000.020.0100.010.010000.020.0100.0100000.0200000004437870.000.000.000.010.000.010.000.000.000.000.000.000.000.000.000.00
Loop 3527 - stl_vector.h:1189-1198 - libgromacs.so.8 [...]00000.010.020.010.01000000.010.010.0100000000000141211280.000.000.000.000.000.020.020.010.000.000.000.000.000.000.000.00
Loop 3528 - stl_vector.h:1189-1198 - libgromacs.so.8 [...]000.050.120.060.110.020000.050.050.020.030.010.01000.040.050.010.02000048162825120.000.000.010.020.030.040.020.020.000.000.010.010.010.010.000.001010101010101010
Loop 3523 - pairlist.cpp:2998-2998 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
__kmp_join_barrier(int)libiomp5.so00.0100.010.010.020.020.0200.0100.0100.010.010.0100.01000000021361125480.000.000.000.010.000.030.020.020.000.000.000.000.000.000.000.00NAOMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00
spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted]+libgromacs.so.800.210.240.370.960.870.931.5400.310.220.170.290.160.160.3300.30.180.150.220.120.10.2102481632641280.000.010.040.040.210.150.280.640.000.020.030.020.050.020.030.08NAlibgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...1010101010101010
Loop 16257 - pme_spread.cpp:477-1011 - libgromacs.so.8 [...]+000000000000000000000000000011270.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16258 - pme_spread.cpp:538-702 - libgromacs.so.8 [...]+000000000000.01000000000000000231140.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16259 - pme_spread.cpp:556-702 - libgromacs.so.8 [...]+000000000000000000000000010021360.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16260 - pme_spread.cpp:574-702 - libgromacs.so.8 [...]+000000.010.0100000.010.01000.010000000000112514150.000.000.000.000.020.000.000.010.000.000.000.000.000.000.000.00
Loop 16276 - pme_spread.cpp:635-702 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16277 - pme_spread.cpp:685-702 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16278 - pme_spread.cpp:700-702 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16279 - pme_spread.cpp:700-702 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16273 - pme_spread.cpp:635-695 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16274 - pme_spread.cpp:685-695 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16275 - pme_spread.cpp:693-695 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16270 - pme_spread.cpp:635-695 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16272 - pme_spread.cpp:685-695 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16271 - pme_spread.cpp:685-695 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16261 - pme_spread.cpp:633-641 - libgromacs.so.8+0000.010.0100.020.010000.010.010.010.010.0100.0100000002165318260.000.000.000.000.010.020.040.010.000.000.000.000.000.000.000.00
Loop 16263 - pme_spread.cpp:635-641 - libgromacs.so.8+00.040.040.020.060.070.040.0400.050.040.020.030.030.020.0300.050.030.010.010.0100.010248152537830.000.010.010.010.040.050.040.040.000.010.010.000.010.010.000.011010101010101010
Loop 16264 - pme_spread.cpp:639-641 - libgromacs.so.800.020.040.090.120.210.370.5600.030.040.040.040.050.080.2200.030.030.030.030.030.040.0802481532641280.000.010.020.020.060.090.160.380.000.010.020.010.010.010.020.051010101010101010
Loop 16265 - pme_spread.cpp:639-641 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16262 - pme_spread.cpp:639-641 - libgromacs.so.800.150.160.250.760.580.470.9100.220.150.140.230.130.10.300.220.120.10.170.080.050.1202481632641280.000.000.030.050.160.130.230.520.000.010.020.020.040.020.020.071010101010101010
Loop 16266 - pme_spread.cpp:635-695 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16268 - pme_spread.cpp:685-695 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16267 - pme_spread.cpp:693-695 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16269 - pme_spread.cpp:693-695 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16280 - pme_spread.cpp:635-702 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16281 - pme_spread.cpp:685-702 - libgromacs.so.8 [...]+000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
Loop 16282 - pme_spread.cpp:700-702 - libgromacs.so.8000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
__kmp_finish_implicit_tasklibiomp5.so0000.010000.010000.010000000000000003235200.000.000.000.010.000.000.000.000.000.000.000.000.000.000.000.00NANANAOMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00
__kmp_invoke_microtasklibiomp5.so0000.010.020.020.030.020000.010.010.010.020.0100000000000381125630.000.000.000.010.020.020.040.020.000.000.000.000.000.000.000.00NANANAOMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00
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.800.390.530.460.60.60.590.5600.560.530.260.190.130.10.1600.550.390.180.140.080.060.0802481632641280.000.010.140.110.160.160.210.180.000.010.100.040.040.020.020.02NAlibgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00libgromacs.so.8 (%): 100.00clang 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...1010101010101010
Loop 14203 - lincs.cpp:425-440 - libgromacs.so.8 [...]00.390.530.460.60.60.590.5600.550.530.260.190.130.10.1600.550.390.180.140.080.060.0802481632641280.000.010.140.110.160.160.210.180.000.010.100.040.040.020.020.021010101010101010
Loop 14202 - lincs.cpp:445-458 - libgromacs.so.8 [...]000000000000000000000000000000000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00
bool _INTERNAL1311483b::__kmp_wait_template<kmp_flag_64<false, true>, true, false, true>(kmp_info*, kmp_flag_64<false, true>*, void*)libiomp5.so00.4836.212.1918.4528.1140.2501.333.533.783.783.23.568.1300.672.222.482.82.552.955.4501371531631270.000.000.792.502.602.943.4112.680.000.000.580.980.580.380.331.61NAOMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.00OMP (%): 100.001010101010101010
expfgmx00.0100000000.010.0100.01000.0100.01000000011010010.000.000.000.000.000.000.000.000.000.000.000.000.000.000.000.00NAMath (%): 100.00Math (%): 100.00NAMath (%): 100.00NANAMath (%): 100.00
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