options

Functions and Loops

306 loops and 412 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 1.25% 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.

Columns Filter

Coverage run_0 (%) Coverage Excluding Loops run_0 (%) Max Inclusive Time Over Threads run_0 (s) Max Exclusive Time Over Threads run_0 (s) Inclusive Time w.r.t. Wall Time run_0 (s) Exclusive Time w.r.t. Wall Time run_0 (s) Nb Threads run_0 Deviation (coverage) run_0 Deviation (walltime) run_0 Categories run_0 Compilation Options
NameModuleCoverage run_0 (%)Coverage Excluding Loops run_0 (%)Max Inclusive Time Over Threads run_0 (s)Max Exclusive Time Over Threads run_0 (s)Inclusive Time w.r.t. Wall Time run_0 (s)Exclusive Time w.r.t. Wall Time run_0 (s)Nb Threads run_0Deviation (coverage) run_0Deviation (walltime) run_0Categories run_0Compilation Options
void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...+libgromacs_mpi.so.9.0.023.550.005.000.012.920.001282.880.35/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 886 - simd_kernel.h:273-545 - libgromacs_mpi.so.9.0.0 [...]+23.551.019.170.282.920.131280.270.03
Loop 891 - simd_kernel.h:476-476 - libgromacs_mpi.so.9.0.0 [...]15.3215.324.634.631.901.901289.171.13
Loop 892 - impl_x86_avx_512_simd_float.h:181-461 - libgromacs_mpi.so.9.0.0 [...]0.670.670.250.250.080.081280.390.05
Loop 887 - simd_kernel.h:518-518 - libgromacs_mpi.so.9.0.0 [...]0.460.460.550.550.060.06591.570.19
Loop 890 - impl_x86_avx_512_simd_float.h:181-461 - libgromacs_mpi.so.9.0.0 [...]0.530.530.330.330.070.071230.690.09
Loop 889 - simd_kernel.h:497-497 - libgromacs_mpi.so.9.0.0 [...]5.505.503.053.050.680.681286.800.84
Loop 888 - simd_kernel.h:510-513 - libgromacs_mpi.so.9.0.0 [...]0.050.050.080.080.010.01400.180.02
ADIOI_GEN_SetLockDirect64libmpi.so.12.0.018.4918.494.234.232.302.301929.471.16MPI (%): 100.00
energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)libgromacs_mpi.so.9.0.09.009.001.441.441.121.121922.230.28/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
MPIDI_SHMGR_Gatherlibmpi.so.12.0.07.030.011.780.010.870.001924.760.58MPI (%): 100.00
__libm_exp_z0gmx_mpi4.494.490.800.800.560.561921.130.14Math (%): 100.00
void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...+libgromacs_mpi.so.9.0.04.070.000.860.010.510.001280.550.07/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 893 - simd_kernel.h:273-555 - libgromacs_mpi.so.9.0.0 [...]+4.070.151.620.060.510.021270.100.01
Loop 899 - impl_x86_avx_512_simd_float.h:181-461 - libgromacs_mpi.so.9.0.0 [...]0.120.120.050.050.010.011240.100.01
Loop 897 - impl_x86_avx_512_simd_float.h:181-461 - libgromacs_mpi.so.9.0.0 [...]0.090.090.070.070.010.01930.130.02
Loop 896 - simd_kernel.h:497-497 - libgromacs_mpi.so.9.0.0 [...]0.980.980.540.540.120.121241.210.15
Loop 895 - simd_kernel.h:510-513 - libgromacs_mpi.so.9.0.0 [...]0.010.010.020.020.000.00150.050.01
Loop 894 - simd_kernel.h:518-518 - libgromacs_mpi.so.9.0.0 [...]0.060.060.090.090.010.01390.210.03
Loop 898 - simd_kernel.h:476-476 - libgromacs_mpi.so.9.0.0 [...]2.672.670.780.780.330.331281.630.20
MPIR_Progress_hook_exec_on_vcilibmpi.so.12.0.03.393.390.810.810.420.421921.700.21MPI (%): 100.00
__libm_erfcf_l9gmx_mpi3.083.080.520.520.380.381920.770.10Exe (%): 100.00
energyDrift(gmx::ArrayRef<VerletbufAtomtype const>, gmx_ffparams_t const*, float, pot_derivatives_t const&, pot_derivatives_t const&, pot_derivatives_t const&, float, float, float, int, float)+libgromacs_mpi.so.9.0.02.440.000.450.000.300.001920.640.08/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 14241 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.0 [...]+2.440.020.460.020.300.00850.030.00
Loop 14242 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.0 [...]2.412.410.440.440.300.301920.630.08
__libm_expf_l9gmx_mpi2.342.340.460.460.290.291920.620.08Math (%): 100.00
fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+libgromacs_mpi.so.9.0.01.790.000.750.010.220.00640.430.05/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 17624 - fft5d.cpp:758-1369 - libgromacs_mpi.so.9.0.0 [...]+1.780.011.110.010.220.00400.020.00
Loop 17625 - fft5d.cpp:887-1132 - libgromacs_mpi.so.9.0.0 [...]+0.440.000.280.010.050.00110.020.00
Loop 17626 - fft5d.cpp:908-1132 - libgromacs_mpi.so.9.0.0 [...]+0.430.020.270.020.050.00550.050.01
Loop 17627 - fft5d.cpp:912-918 - libgromacs_mpi.so.9.0.0+0.410.090.250.060.050.01640.100.01
Loop 17629 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.320.320.170.170.040.04640.200.02
Loop 17628 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.000.000.010.010.000.00190.020.00
Loop 17635 - fft5d.cpp:758-1132 - libgromacs_mpi.so.9.0.0 [...]+0.730.000.410.010.090.00140.010.00
Loop 17636 - fft5d.cpp:779-1132 - libgromacs_mpi.so.9.0.0 [...]+0.730.030.400.040.090.00580.060.01
Loop 17637 - fft5d.cpp:783-789 - libgromacs_mpi.so.9.0.0+0.700.030.360.030.090.00570.060.01
Loop 17639 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.670.670.320.320.080.08640.270.03
Loop 17638 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0080.000.00
Loop 17630 - fft5d.cpp:823-1132 - libgromacs_mpi.so.9.0.0 [...]+0.600.000.400.010.080.00170.010.00
Loop 17631 - fft5d.cpp:845-855 - libgromacs_mpi.so.9.0.0+0.600.020.390.020.070.00480.040.01
Loop 17632 - fft5d.cpp:849-855 - libgromacs_mpi.so.9.0.0+0.580.130.370.090.070.02640.130.02
Loop 17633 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.00.010.010.060.060.000.0080.080.01
Loop 17634 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.00.430.430.220.220.050.05640.230.03
MPID_Progress_waitlibmpi.so.12.0.01.731.730.430.430.210.211920.830.10MPI (%): 100.00
gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)+libgromacs_mpi.so.9.0.01.500.000.800.010.190.00640.730.09/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 17268 - pme_gather.cpp:103-348 - libgromacs_mpi.so.9.0.0 [...]+1.501.500.800.800.190.19640.730.09
Loop 17272 - pme_gather.cpp:247-251 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17269 - pme_gather.cpp:103-323 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 17270 - pme_gather.cpp:103-323 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 17271 - pme_gather.cpp:116-120 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]+libgromacs_mpi.so.9.0.01.430.000.860.010.180.00640.670.08/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 17540 - pme_spread.cpp:188-988 - libgromacs_mpi.so.9.0.0 [...]+1.430.000.880.010.180.0090.020.00
Loop 17546 - pme_spread.cpp:439-447 - libgromacs_mpi.so.9.0.0+0.000.000.000.000.000.0000.000.00
Loop 17547 - pme_spread.cpp:441-447 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17548 - pme_spread.cpp:441-447 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17565 - pme_spread.cpp:188-199 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 17566 - pme_spread.cpp:197-199 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17567 - pme_spread.cpp:197-199 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17558 - pme_spread.cpp:277-975 - libgromacs_mpi.so.9.0.0 [...]+0.530.530.390.390.070.07640.360.04
Loop 17559 - pme_spread.cpp:292-292 - libgromacs_mpi.so.9.0.0+0.000.000.000.000.000.0000.000.00
Loop 17561 - pme_spread.cpp:292-292 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17560 - pme_spread.cpp:292-292 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17563 - pme_spread.cpp:292-292 - libgromacs_mpi.so.9.0.0+0.000.000.000.000.000.0000.000.00
Loop 17562 - pme_spread.cpp:292-292 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17564 - pme_spread.cpp:292-292 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17541 - pme_spread.cpp:439-447 - libgromacs_mpi.so.9.0.0+0.000.000.000.000.000.0000.000.00
Loop 17545 - pme_spread.cpp:441-447 - libgromacs_mpi.so.9.0.0+0.000.000.000.000.000.0000.000.00
Loop 17544 - pme_spread.cpp:445-447 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17543 - pme_spread.cpp:445-447 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17542 - pme_spread.cpp:445-447 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17549 - pme_spread.cpp:439-447 - libgromacs_mpi.so.9.0.0+0.000.000.000.000.000.0000.000.00
Loop 17550 - pme_spread.cpp:441-447 - libgromacs_mpi.so.9.0.0+0.000.000.000.000.000.0000.000.00
Loop 17551 - pme_spread.cpp:445-447 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17552 - pme_spread.cpp:358-400 - libgromacs_mpi.so.9.0.0 [...]+0.900.900.480.480.110.11640.450.06
Loop 17555 - pme_spread.cpp:400-400 - libgromacs_mpi.so.9.0.0+0.000.000.000.000.000.0000.000.00
Loop 17554 - pme_spread.cpp:400-400 - libgromacs_mpi.so.9.0.0+0.000.000.000.000.000.0000.000.00
Loop 17553 - pme_spread.cpp:400-400 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17556 - pme_spread.cpp:400-400 - libgromacs_mpi.so.9.0.0+0.000.000.000.000.000.0000.000.00
Loop 17557 - pme_spread.cpp:400-400 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]+libgromacs_mpi.so.9.0.01.120.000.250.000.140.001280.170.02/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 2536 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0 [...]+1.120.000.710.000.140.0000.000.00
Loop 2535 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0 [...]+1.120.000.710.000.140.0000.000.00
Loop 2534 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0 [...]+1.120.000.710.000.140.0000.000.00
Loop 2533 - stl_vector.h:378-1936 - libgromacs_mpi.so.9.0.0 [...]+1.120.000.710.000.140.0000.000.00
Loop 2532 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0 [...]+1.120.000.710.000.140.0000.000.00
Loop 2531 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0 [...]+1.120.000.710.000.140.0000.000.00
Loop 2530 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0 [...]+1.120.040.710.020.140.00970.040.01
Loop 2575 - stl_algobase.h:918-919 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2566 - pairlist.cpp:2099-2101 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0020.000.00
Loop 2571 - pairlist.cpp:2082-2096 - libgromacs_mpi.so.9.0.0 [...]0.010.010.010.010.000.00410.020.00
Loop 2572 - stl_algobase.h:918-919 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0040.000.00
Loop 2542 - pairlist.cpp:162-4066 - libgromacs_mpi.so.9.0.0 [...]+0.870.030.400.030.110.00820.040.01
Loop 2543 - pairlist.cpp:162-4066 - libgromacs_mpi.so.9.0.0 [...]+0.840.290.370.100.100.041280.120.01
Loop 2557 - pairlist.cpp:3503-3505 - libgromacs_mpi.so.9.0.00.150.150.070.070.020.021260.110.01
Loop 2554 - pairlist.cpp:1057-1091 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2549 - pairlist_simd_2xmm.h:185-229 - libgromacs_mpi.so.9.0.0 [...]0.110.110.060.060.010.011250.090.01
Loop 2555 - pairlist.cpp:1012-1046 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2544 - pairlist.cpp:3113-3113 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2545 - pairlist.cpp:3113-3113 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2546 - pairlist_simd_2xmm.h:237-241 - libgromacs_mpi.so.9.0.0 [...]+0.020.020.020.020.000.00750.030.00
Loop 2548 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2547 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2556 - pairlist.cpp:3518-3520 - libgromacs_mpi.so.9.0.00.060.060.040.040.010.01960.080.01
Loop 2550 - pairlist_simd_2xmm.h:130-174 - libgromacs_mpi.so.9.0.0 [...]0.200.200.080.080.020.021280.110.01
Loop 2551 - pairlist.cpp:943-4066 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2552 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2553 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2567 - pairlist.cpp:2099-2101 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.00170.000.00
Loop 2529 - pairlist.cpp:199-4126 - libgromacs_mpi.so.9.0.0 [...]+0.100.010.150.020.010.00480.030.00
Loop 2558 - pairlist.cpp:291-293 - libgromacs_mpi.so.9.0.00.010.010.020.020.000.00370.030.00
Loop 2528 - pairlist.cpp:199-4126 - libgromacs_mpi.so.9.0.0 [...]+0.070.020.090.020.010.00680.030.00
Loop 2527 - pairlist.cpp:199-4126 - libgromacs_mpi.so.9.0.0 [...]+0.030.000.050.000.000.0050.000.00
Loop 2526 - pairlist.cpp:199-4126 - libgromacs_mpi.so.9.0.0 [...]+0.030.010.050.010.000.00410.020.00
Loop 2525 - pairlist.cpp:233-4126 - libgromacs_mpi.so.9.0.0 [...]+0.020.000.040.000.000.0030.000.00
Loop 2562 - pairlist.cpp:233-4126 - libgromacs_mpi.so.9.0.0 [...]+0.020.000.030.010.000.00190.000.00
Loop 2524 - pairlist.cpp:233-4126 - libgromacs_mpi.so.9.0.0 [...]+0.010.010.030.010.000.00350.020.00
Loop 2523 - pairlist.cpp:2883-2886 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.00100.000.00
Loop 2522 - pairlist.cpp:233-4126 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.010.000.000.0020.000.00
Loop 2563 - pairlist.cpp:268-3240 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2564 - pairlist.cpp:2996-2996 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2473 - pairlist.cpp:233-4126 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0030.000.00
Loop 2521 - pairlist.cpp:268-3240 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2474 - pairlist.cpp:240-4126 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2475 - pairlist.cpp:240-4126 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2476 - pairlist.cpp:240-4126 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2519 - pairlist.cpp:282-286 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2518 - pairlist.cpp:291-293 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2477 - pairlist.cpp:240-4126 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2481 - pairlist.cpp:894-4066 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2482 - pairlist.cpp:894-4066 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2483 - pairlist.cpp:894-4066 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2484 - grid.h:239-295 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2485 - pairlist.cpp:894-4066 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2486 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2487 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2515 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2516 - pairlist.cpp:291-293 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2488 - pairlist.cpp:894-2039 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2489 - pairlist.cpp:894-2039 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2490 - pairlist.cpp:1341-1351 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2517 - pairlist.cpp:282-286 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2514 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2492 - pairlist.cpp:240-4066 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2493 - pairlist.cpp:240-4066 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2510 - pairlist.cpp:3518-3520 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2511 - pairlist.cpp:3503-3505 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2494 - pairlist.cpp:240-4066 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2495 - pairlist.cpp:240-4066 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2509 - pairlist.cpp:560-4066 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2507 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2500 - pairlist.cpp:894-4066 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2498 - pairlist.cpp:931-933 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2496 - pairlist.cpp:931-933 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2501 - pairlist.cpp:931-933 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2497 - pairlist.cpp:931-933 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2504 - pairlist.cpp:931-933 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2502 - pairlist.cpp:931-933 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2503 - pairlist.cpp:931-933 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2505 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2506 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2499 - pairlist.cpp:931-933 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2508 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2513 - pairlist.cpp:2448-2459 - libgromacs_mpi.so.9.0.0+0.000.000.000.000.000.0000.000.00
Loop 2512 - pairlist.cpp:2452-2459 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2491 - pairlist.cpp:1279-1282 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2478 - stl_vector.h:378-1899 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 2479 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2480 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2520 - pairlist.cpp:2883-2886 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2565 - pairlist.cpp:2996-2996 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2561 - pairlist.cpp:282-286 - libgromacs_mpi.so.9.0.00.010.010.010.010.000.00390.020.00
Loop 2560 - pairlist.cpp:291-293 - libgromacs_mpi.so.9.0.00.010.010.010.010.000.00400.010.00
Loop 2559 - pairlist.cpp:282-286 - libgromacs_mpi.so.9.0.00.010.010.010.010.000.00340.020.00
Loop 2568 - pairlist.cpp:2092-2096 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0050.000.00
Loop 2569 - pairlist.cpp:2092-2096 - libgromacs_mpi.so.9.0.0 [...]0.010.010.010.010.000.00360.010.00
Loop 2570 - pairlist.cpp:2082-2086 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.00120.000.00
Loop 2573 - stl_algobase.h:918-919 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0010.000.00
Loop 2541 - pairlist.cpp:1279-1282 - libgromacs_mpi.so.9.0.0 [...]0.000.000.010.010.000.00100.010.00
Loop 2537 - pairlist.cpp:1330-1430 - libgromacs_mpi.so.9.0.0 [...]+0.080.020.060.020.010.00630.020.00
Loop 2538 - pairlist.cpp:1330-1430 - libgromacs_mpi.so.9.0.0 [...]0.000.000.010.010.000.00140.010.00
Loop 2539 - pairlist.cpp:1330-1430 - libgromacs_mpi.so.9.0.0 [...]+0.060.050.040.030.010.011050.050.01
Loop 2540 - pairlist.cpp:1341-1351 - libgromacs_mpi.so.9.0.0 [...]0.010.010.010.010.000.00370.020.00
Loop 2574 - stl_algobase.h:918-919 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
impi_shm_heap_progresslibmpi.so.12.0.01.061.060.290.290.130.131920.540.07MPI (%): 100.00
MPIDI_SHMI_progresslibmpi.so.12.0.00.680.680.190.190.080.081920.340.04MPI (%): 100.00
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_mpi.so.9.0.00.680.000.380.010.080.001140.740.09/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 14990 - lincs.cpp:328-328 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 14991 - lincs.cpp:328-328 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 14997 - lincs.cpp:278-295 - libgromacs_mpi.so.9.0.0 [...]+0.680.000.380.000.080.0030.000.00
Loop 14998 - lincs.cpp:278-295 - libgromacs_mpi.so.9.0.0 [...]+0.670.310.380.160.080.041130.350.04
Loop 15000 - lincs.cpp:290-292 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 14999 - lincs.cpp:290-292 - libgromacs_mpi.so.9.0.00.360.360.220.220.050.051140.420.05
Loop 14992 - lincs.cpp:278-348 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 14993 - lincs.cpp:278-348 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 14994 - lincs.cpp:340-344 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 14996 - lincs.cpp:340-344 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 14995 - lincs.cpp:340-344 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...+libgromacs_mpi.so.9.0.00.620.000.350.020.080.001190.700.09/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 14981 - lincs.cpp:845-1223 - libgromacs_mpi.so.9.0.0 [...]+0.180.000.110.000.020.0070.000.00
Loop 14982 - lincs.cpp:966-978 - libgromacs_mpi.so.9.0.0 [...]0.170.170.090.090.020.021090.190.02
Loop 14984 - lincs.cpp:1205-1205 - libgromacs_mpi.so.9.0.0 [...]0.000.000.010.010.000.00170.020.00
Loop 14983 - lincs.cpp:1205-1205 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0010.000.00
Loop 14986 - lincs.cpp:1146-1146 - libgromacs_mpi.so.9.0.0 [...]0.000.000.010.010.000.00220.010.00
Loop 14985 - lincs.cpp:1146-1146 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0010.000.00
Loop 14980 - lincs.cpp:1243-1245 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0030.000.00
Loop 14989 - lincs.cpp:845-857 - libgromacs_mpi.so.9.0.0 [...]0.290.290.170.170.040.041100.340.04
Loop 14979 - lincs.cpp:1252-1257 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 14977 - lincs.cpp:1265-1273 - libgromacs_mpi.so.9.0.00.010.010.020.020.000.00440.030.00
Loop 14978 - lincs.cpp:1252-1257 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 14987 - lincs.cpp:1133-1137 - libgromacs_mpi.so.9.0.0 [...]+0.130.040.090.040.020.00800.050.01
Loop 14988 - lincs.cpp:1135-1137 - libgromacs_mpi.so.9.0.0 [...]0.090.090.050.050.010.01980.110.01
I_MPI_memcpy_multipage_sselibmpi.so.12.0.00.540.540.270.270.070.071280.660.08MPI (%): 100.00
void nbnxmSimdPruneKernel<(KernelLayout)1>(NbnxnPairlistCpu*, nbnxn_atomdata_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+libgromacs_mpi.so.9.0.00.400.000.140.000.050.001280.160.02/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 2633 - simd_prune_kernel.cpp:106-213 - libgromacs_mpi.so.9.0.0 [...]+0.400.020.140.010.050.00650.030.00
Loop 2634 - simd_prune_kernel.cpp:144-204 - libgromacs_mpi.so.9.0.0 [...]0.380.380.130.130.050.051280.150.02
std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*,...+libgromacs_mpi.so.9.0.00.400.000.280.010.050.001080.580.07/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 16891 - bonded.cpp:2066-2126 - libgromacs_mpi.so.9.0.0 [...]0.400.400.280.280.050.051080.580.07
gmx::csettle(gmx::SettleData const&, int, int, t_pbc const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float, gmx::ArrayRefWithPadding<gmx::BasicVector<flo...+libgromacs_mpi.so.9.0.00.370.000.160.010.050.001270.270.03/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 15316 - settle.cpp:425-676 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15315 - settle.cpp:425-649 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15319 - settle.cpp:425-425 - libgromacs_mpi.so.9.0.0 [...]0.320.320.160.160.040.041270.250.03
Loop 15318 - settle.cpp:425-425 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15314 - settle.cpp:425-676 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15313 - settle.cpp:425-622 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15317 - settle.cpp:425-425 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15320 - settle.cpp:425-425 - libgromacs_mpi.so.9.0.0 [...]0.040.040.030.030.000.00880.050.01
MPID_Progress_completion_count_getlibmpi.so.12.0.00.340.340.110.110.040.041920.190.02MPI (%): 100.00
mkl_dft_def_ownscDftFwd_Prime8_32fclibmkl_def.so.20.320.320.190.190.040.04640.220.03Math (%): 100.00
copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)+libgromacs_mpi.so.9.0.00.320.040.100.030.040.001280.130.02/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 1375 - atomdata.cpp:226-233 - libgromacs_mpi.so.9.0.00.280.280.100.100.030.031280.110.01
Loop 1381 - atomdata.cpp:154-158 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1373 - atomdata.cpp:240-247 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0020.000.00
Loop 1378 - atomdata.cpp:193-200 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1379 - atomdata.cpp:161-163 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1376 - atomdata.cpp:207-214 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1374 - atomdata.cpp:240-247 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0020.000.00
Loop 1371 - atomdata.cpp:180-184 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1372 - atomdata.cpp:172-177 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1377 - atomdata.cpp:207-214 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1380 - atomdata.cpp:161-163 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*...+libgromacs_mpi.so.9.0.00.310.000.170.010.040.001100.370.05/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 16882 - bonded.cpp:1151-1170 - libgromacs_mpi.so.9.0.0 [...]0.310.310.170.170.040.041100.370.05
mkl_dft_def_ownscDftInv_Prime8_32fclibmkl_def.so.20.310.310.190.190.040.04640.150.02Math (%): 100.00
reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone .extracted]+libgromacs_mpi.so.9.0.00.280.000.100.010.030.001280.140.02/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 1441 - atomdata.cpp:1113-1257 - libgromacs_mpi.so.9.0.0 [...]+0.280.000.110.010.030.0040.020.00
Loop 1444 - atomdata.cpp:1137-1143 - libgromacs_mpi.so.9.0.0 [...]0.280.280.100.100.030.031280.140.02
Loop 1443 - atomdata.cpp:1127-1133 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 1442 - atomdata.cpp:1117-1123 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
pme_calc_pidx_wrapper(gmx::ArrayRef<gmx::BasicVector<float> const>, float const (*) [3], PmeAtomComm*) [clone .extracted]+libgromacs_mpi.so.9.0.00.260.000.140.010.030.00640.190.02/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 17434 - pme_redistribute.cpp:81-135 - libgromacs_mpi.so.9.0.0 [...]+0.260.000.180.000.030.0040.000.00
Loop 17437 - pme_redistribute.cpp:111-118 - libgromacs_mpi.so.9.0.00.130.130.080.080.020.02640.130.02
Loop 17436 - pme_redistribute.cpp:111-118 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0010.000.00
Loop 17435 - pme_redistribute.cpp:96-103 - libgromacs_mpi.so.9.0.00.130.130.080.080.020.02640.130.02
gmx::lincs_update_atoms(gmx::Lincs*, int, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3])+libgromacs_mpi.so.9.0.00.260.000.130.010.030.001120.280.03/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 15001 - lincs.cpp:396-409 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15002 - lincs.cpp:376-391 - libgromacs_mpi.so.9.0.0 [...]0.250.250.130.130.030.031120.280.03
solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs_mpi.so.9.0.00.250.000.140.010.030.00640.170.02/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 17442 - pme_solve.cpp:233-560 - libgromacs_mpi.so.9.0.0 [...]+0.170.020.180.020.020.00520.050.01
Loop 17447 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.0 [...]0.060.060.050.050.010.01630.070.01
Loop 17448 - pme_solve.cpp:533-542 - libgromacs_mpi.so.9.0.00.020.020.020.020.000.00470.040.00
Loop 17449 - pme_solve.cpp:521-530 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17445 - pme_solve.cpp:554-560 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17443 - pme_solve.cpp:554-559 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17441 - pme_solve.cpp:533-542 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17446 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.0 [...]0.030.030.020.020.000.00490.050.01
Loop 17444 - pme_solve.cpp:554-560 - libgromacs_mpi.so.9.0.00.020.020.030.030.000.00540.040.01
Loop 17450 - pme_solve.cpp:521-530 - libgromacs_mpi.so.9.0.00.030.030.030.030.000.00560.050.01
Loop 17451 - pme_solve.cpp:233-533 - libgromacs_mpi.so.9.0.0 [...]+0.080.010.120.010.010.00270.020.00
Loop 17460 - pme_solve.cpp:456-469 - libgromacs_mpi.so.9.0.00.020.020.030.030.000.00470.050.01
Loop 17457 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.0 [...]0.000.000.010.010.000.00150.010.00
Loop 17461 - pme_solve.cpp:440-453 - libgromacs_mpi.so.9.0.00.030.030.030.030.000.00550.060.01
Loop 17452 - pme_solve.cpp:485-495 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17459 - pme_solve.cpp:472-474 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17458 - pme_solve.cpp:472-474 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.00140.000.00
Loop 17456 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.0 [...]0.000.000.010.010.000.00110.020.00
Loop 17455 - pme_solve.cpp:485-495 - libgromacs_mpi.so.9.0.00.000.000.010.010.000.0080.010.00
Loop 17453 - pme_solve.cpp:498-510 - libgromacs_mpi.so.9.0.00.010.010.010.010.000.00300.020.00
Loop 17454 - pme_solve.cpp:485-495 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
void do_pairs_simple<gmx::SimdFloat, 16, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float const>, float)+libgromacs_mpi.so.9.0.00.250.000.190.000.030.001070.370.05/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 17121 - pairs.cpp:873-894 - libgromacs_mpi.so.9.0.0 [...]0.250.250.190.190.030.031070.370.05
mkl_dft_def_owns_cRadix4FwdNorm_32fclibmkl_def.so.20.240.240.140.140.030.03640.180.02Math (%): 100.00
do_redist_pos_coeffs(gmx_pme_t*, t_commrec const*, bool, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>)+libgromacs_mpi.so.9.0.00.230.000.140.010.030.00640.190.02/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 17422 - pme_redistribute.cpp:126-501 - libgromacs_mpi.so.9.0.0 [...]+0.230.000.170.010.030.0090.010.00
Loop 17427 - stl_vector.h:1126-1126 - libgromacs_mpi.so.9.0.0 [...]0.000.000.010.010.000.0060.020.00
Loop 17424 - pme_redistribute.cpp:256-398 - libgromacs_mpi.so.9.0.0 [...]0.000.000.010.010.000.00180.020.00
Loop 17429 - pme_redistribute.cpp:294-298 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17430 - pme_redistribute.cpp:147-149 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17423 - pme_redistribute.cpp:265-398 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17431 - pme_redistribute.cpp:145-149 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 17433 - pme_redistribute.cpp:147-149 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17432 - pme_redistribute.cpp:147-149 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17426 - pme_redistribute.cpp:345-367 - libgromacs_mpi.so.9.0.0 [...]0.220.220.140.140.030.03640.180.02
Loop 17428 - pme_redistribute.cpp:294-298 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17425 - pme_redistribute.cpp:345-367 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
mkl_dft_def_owns_cRadix4InvNorm_32fclibmkl_def.so.20.230.230.110.110.030.03640.140.02Math (%): 100.00
MPIDIG_send_origin_cblibmpi.so.12.0.00.220.220.080.080.030.031900.120.01MPI (%): 100.00
dd_move_f(gmx_domdec_t*, gmx::ForceWithShiftForces*, gmx_wallcycle*)+libgromacs_mpi.so.9.0.00.210.000.080.010.030.001280.110.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 2953 - domdec.cpp:367-453 - libgromacs_mpi.so.9.0.0 [...]+0.210.000.140.010.030.00140.010.00
Loop 2954 - domdec.cpp:381-453 - libgromacs_mpi.so.9.0.0 [...]+0.210.010.130.020.030.00400.020.00
Loop 2955 - domdec.cpp:415-419 - libgromacs_mpi.so.9.0.0 [...]0.180.180.070.070.020.021280.110.01
Loop 2958 - domdec.cpp:442-453 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2957 - domdec.cpp:442-447 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 2956 - domdec.cpp:426-435 - libgromacs_mpi.so.9.0.0 [...]0.010.010.030.030.000.00360.040.01
Loop 2960 - domdec.cpp:401-405 - libgromacs_mpi.so.9.0.0+0.000.000.020.000.000.0000.000.00
Loop 2962 - domdec.cpp:403-405 - libgromacs_mpi.so.9.0.00.000.000.010.010.000.0020.030.00
Loop 2961 - domdec.cpp:403-405 - libgromacs_mpi.so.9.0.00.000.000.010.010.000.0030.020.00
Loop 2959 - domdec.cpp:403-405 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef<gmx::BasicVector<float> >, bool)+libgromacs_mpi.so.9.0.00.200.000.120.020.020.00640.170.02/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 17421 - pme_redistribute.cpp:261-430 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0080.000.00
Loop 17420 - pme_redistribute.cpp:436-449 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17419 - pme_redistribute.cpp:455-468 - libgromacs_mpi.so.9.0.0 [...]0.190.190.120.120.020.02640.170.02
I_MPI_memcpy_sselibmpi.so.12.0.00.190.190.080.080.020.021870.120.01MPI (%): 100.00
mkl_dft_def_ownscDftFwd_Fact3_32fclibmkl_def.so.20.180.180.140.140.020.02640.140.02Math (%): 100.00
mkl_dft_def_ownscDftInv_Fact3_32fclibmkl_def.so.20.170.170.140.140.020.02640.150.02Math (%): 100.00
spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.18]+libgromacs_mpi.so.9.0.00.170.000.120.010.020.00640.180.02/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 17568 - pme_spread.cpp:75-918 - libgromacs_mpi.so.9.0.0 [...]+0.170.000.120.000.020.0010.000.00
Loop 17574 - pme_spread.cpp:104-133 - libgromacs_mpi.so.9.0.0 [...]0.170.170.120.120.020.02640.180.02
Loop 17575 - pme_spread.cpp:104-145 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17576 - pme_spread.cpp:96-98 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17578 - pme_spread.cpp:96-98 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17573 - pme_spread.cpp:154-156 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17570 - pme_spread.cpp:172-174 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17572 - pme_spread.cpp:165-167 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17577 - pme_spread.cpp:96-98 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17569 - pme_spread.cpp:172-174 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17571 - pme_spread.cpp:165-167 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
_ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@776libgromacs_mpi.so.9.0.00.150.150.120.120.020.02930.230.03/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
__intel_avx_rep_memset+gmx_mpi0.150.130.050.050.020.021850.080.01Memory (%): 100.00
Loop 107 - - gmx_mpi0.010.010.010.010.000.00430.020.00
int assignInteractionsForAtom<false>(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>, In...+libgromacs_mpi.so.9.0.00.140.020.130.020.020.001080.190.02/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 3294 - localtopology.cpp:323-577 - libgromacs_mpi.so.9.0.0 [...]+0.130.070.170.050.020.01910.100.01
Loop 3300 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.010.010.020.020.000.00310.020.00
Loop 3298 - localtopology.cpp:506-537 - libgromacs_mpi.so.9.0.0 [...]0.040.040.090.090.010.01750.100.01
Loop 3299 - localtopology.cpp:323-555 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3297 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.010.010.000.00180.010.00
Loop 3296 - idef.h:245-247 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0010.000.00
Loop 3295 - idef.h:245-247 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
__intel_avx_rep_memcpy+gmx_mpi0.140.070.090.050.020.01770.190.02Memory (%): 100.00
Loop 105 - - gmx_mpi0.000.000.000.000.000.0000.000.00
Loop 106 - - gmx_mpi0.070.070.050.050.010.01650.090.01
dd_move_x(gmx_domdec_t*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> >, gmx_wallcycle*)+libgromacs_mpi.so.9.0.00.130.000.050.010.020.001270.080.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 2943 - domdec.cpp:273-351 - libgromacs_mpi.so.9.0.0 [...]+0.130.000.120.000.020.0010.000.00
Loop 2944 - domdec.cpp:275-349 - libgromacs_mpi.so.9.0.0 [...]+0.120.010.120.010.020.00360.020.00
Loop 2951 - domdec.cpp:289-291 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0010.000.00
Loop 2945 - domdec.cpp:343-345 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 2949 - domdec.cpp:297-302 - libgromacs_mpi.so.9.0.0 [...]0.020.020.030.030.000.00530.060.01
Loop 2946 - domdec.cpp:341-345 - libgromacs_mpi.so.9.0.0+0.000.000.010.000.000.0000.000.00
Loop 2947 - domdec.cpp:343-345 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0010.000.00
Loop 2948 - domdec.cpp:343-345 - libgromacs_mpi.so.9.0.00.000.000.010.010.000.0020.030.00
Loop 2952 - domdec.cpp:289-291 - libgromacs_mpi.so.9.0.0 [...]0.090.090.050.050.010.011210.080.01
Loop 2950 - domdec.cpp:309-318 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
mkl_dft_def_ownscDftFwd_Fact4_32fclibmkl_def.so.20.120.120.100.100.020.02640.120.01Math (%): 100.00
mkl_dft_def_owns_cCcsRecombine_32flibmkl_def.so.20.120.120.080.080.010.01640.130.02Math (%): 100.00
erfcfgmx_mpi0.120.120.040.040.010.011770.070.01Math (%): 100.00
dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], gmx::BasicVector<float>*, gmx::BasicVector<float>*, bool)+libgromacs_mpi.so.9.0.00.110.000.060.000.010.001220.100.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 3166 - domdec_specatomcomm.cpp:189-358 - libgromacs_mpi.so.9.0.0 [...]+0.110.010.170.010.010.00280.010.00
Loop 3182 - domdec_specatomcomm.cpp:189-252 - libgromacs_mpi.so.9.0.0 [...]+0.070.000.090.010.010.00100.000.00
Loop 3183 - domdec_specatomcomm.cpp:229-231 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0010.000.00
Loop 3187 - domdec_specatomcomm.cpp:195-252 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.020.000.000.0040.000.00
Loop 3191 - domdec_specatomcomm.cpp:247-251 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3190 - domdec_specatomcomm.cpp:238-240 - libgromacs_mpi.so.9.0.0 [...]0.010.010.020.020.000.00280.030.00
Loop 3188 - domdec_specatomcomm.cpp:229-231 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3189 - domdec_specatomcomm.cpp:229-231 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3184 - domdec_specatomcomm.cpp:229-231 - libgromacs_mpi.so.9.0.0 [...]0.020.020.010.010.000.00550.020.00
Loop 3186 - domdec_specatomcomm.cpp:229-231 - libgromacs_mpi.so.9.0.0 [...]0.040.040.040.040.000.00910.050.01
Loop 3185 - domdec_specatomcomm.cpp:229-231 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0080.000.00
Loop 3177 - domdec_specatomcomm.cpp:195-291 - libgromacs_mpi.so.9.0.0 [...]+0.030.000.070.010.000.0090.010.00
Loop 3178 - domdec_specatomcomm.cpp:285-287 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0010.000.00
Loop 3180 - domdec_specatomcomm.cpp:285-287 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3179 - domdec_specatomcomm.cpp:285-287 - libgromacs_mpi.so.9.0.0 [...]0.020.020.030.030.000.00520.040.00
Loop 3181 - domdec_specatomcomm.cpp:285-287 - libgromacs_mpi.so.9.0.0 [...]0.020.020.020.020.000.00460.040.01
Loop 3171 - domdec_specatomcomm.cpp:320-322 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3170 - domdec_specatomcomm.cpp:351-353 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3167 - domdec_specatomcomm.cpp:351-353 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3168 - domdec_specatomcomm.cpp:351-353 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3172 - domdec_specatomcomm.cpp:320-322 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3175 - domdec_specatomcomm.cpp:320-322 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3174 - domdec_specatomcomm.cpp:320-322 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3176 - stl_iterator.h:1111-1244 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3173 - stl_iterator.h:1111-1244 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3169 - domdec_specatomcomm.cpp:351-353 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
mkl_dft_def_ownscDftInv_Fact4_32fclibmkl_def.so.20.110.110.060.060.010.01640.100.01Math (%): 100.00
MPIDIG_send_target_msg_cblibmpi.so.12.0.00.110.110.050.050.010.011610.090.01MPI (%): 100.00
mkl_dft_def_owns_cRealRecombine_32flibmkl_def.so.20.100.100.060.060.010.01640.110.01Math (%): 100.00
expfgmx_mpi0.100.100.040.040.010.011750.060.01Math (%): 100.00
gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVe...+libgromacs_mpi.so.9.0.00.090.010.050.010.010.001240.070.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 15490 - update.cpp:379-405 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15494 - update.cpp:1172-1233 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15487 - update.cpp:379-405 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15482 - update.cpp:615-686 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15474 - exception_ptr.h:207-208 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15477 - exception_ptr.h:207-208 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15489 - update.cpp:498-498 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15475 - exception_ptr.h:207-208 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15493 - update.cpp:1172-1233 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15495 - update.cpp:972-988 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15480 - update.cpp:615-686 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15486 - update.cpp:379-405 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15481 - update.cpp:615-686 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15476 - exception_ptr.h:207-208 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15491 - update.cpp:379-405 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15472 - exception_ptr.h:207-208 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15485 - update.cpp:379-405 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15492 - update.cpp:1354-1395 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15479 - charconv.h:67-71 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 15484 - update.cpp:498-498 - libgromacs_mpi.so.9.0.0 [...]0.030.030.020.020.000.00960.030.00
Loop 15478 - charconv.h:94-99 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 15496 - update.cpp:916-937 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15483 - update.cpp:615-686 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15473 - exception_ptr.h:207-208 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15488 - update.cpp:379-405 - libgromacs_mpi.so.9.0.0 [...]0.050.050.030.030.010.011080.050.01
atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone .extracted]+libgromacs_mpi.so.9.0.00.080.000.040.000.010.001190.070.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 15118 - mdatoms.cpp:267-438 - libgromacs_mpi.so.9.0.0 [...]+0.080.070.040.040.010.011180.070.01
Loop 15117 - mtop_lookup.h:93-106 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0050.000.00
void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...+libgromacs_mpi.so.9.0.00.070.000.040.000.010.001060.080.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 4185 - threaded_force_buffer.cpp:170-211 - libgromacs_mpi.so.9.0.0 [...]+0.070.010.060.010.010.00440.020.00
Loop 4192 - threaded_force_buffer.cpp:182-186 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 4190 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 4191 - threaded_force_buffer.cpp:182-186 - libgromacs_mpi.so.9.0.0 [...]0.000.000.010.010.000.0090.010.00
Loop 4186 - threaded_force_buffer.cpp:207-211 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 4187 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 4188 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 4189 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.9.0.0 [...]0.060.060.040.040.010.01990.060.01
std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo...+libgromacs_mpi.so.9.0.00.070.000.050.010.010.00890.090.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 16938 - vec.h:141-335 - libgromacs_mpi.so.9.0.0 [...]0.070.070.050.050.010.01890.090.01
void make_exclusions_zone<false>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> > const&, gmx...+libgromacs_mpi.so.9.0.00.070.000.040.000.010.001130.070.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 3273 - localtopology.cpp:738-788 - libgromacs_mpi.so.9.0.0 [...]+0.070.010.060.010.010.00500.010.00
Loop 3274 - stl_vector.h:378-1899 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3275 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3277 - localtopology.cpp:749-762 - libgromacs_mpi.so.9.0.0 [...]+0.060.030.050.030.010.00770.040.00
Loop 3278 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.030.030.030.030.000.00770.040.00
Loop 3276 - stl_algobase.h:2070-2072 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
MPI_Waitalllibmpi.so.12.0.00.070.070.030.030.010.011400.050.01MPI (%): 100.00
MPIDI_GPU_request_freelibmpi.so.12.0.00.060.060.030.030.010.011360.050.01MPI (%): 100.00
__libm_atan2f_z0gmx_mpi0.060.060.040.040.010.01880.080.01Math (%): 100.00
void do_dih_fup<(BondedKernelFlavor)2>(int, int, int, int, float, float*, float*, float*, float*, float*, float (*) [4], float (*) [3], t_pbc const*, float const (*) [3], int, int, int)libgromacs_mpi.so.9.0.00.060.060.050.050.010.01840.090.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
__libm_sincosf_e7gmx_mpi0.060.000.070.000.010.00790.100.01Exe (%): 100.00
void calc_ke_part_normal<false>(float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, float const (*) [3], t_grpopts const*, t_mdatoms const*, gmx_ekindata_t*, t_nrnb*...+libgromacs_mpi.so.9.0.00.050.000.040.000.010.001080.060.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 15095 - md_support.cpp:147-219 - libgromacs_mpi.so.9.0.0 [...]+0.050.000.040.000.010.0020.000.00
Loop 15097 - md_support.cpp:181-219 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15096 - md_support.cpp:181-209 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15098 - md_support.cpp:181-209 - libgromacs_mpi.so.9.0.0 [...]0.050.050.040.040.010.011070.060.01
Loop 15099 - md_support.cpp:181-219 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15090 - md_support.cpp:147-219 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 15094 - md_support.cpp:181-219 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15092 - md_support.cpp:181-219 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15093 - md_support.cpp:181-209 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15091 - md_support.cpp:181-209 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
unknown_functionlibgromacs_mpi.so.9.0.00.050.000.020.000.010.001390.040.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00
gmx_pme_receive_f(gmx::PmePpCommGpu*, t_commrec const*, gmx::ForceWithVirial*, float*, float*, float*, float*, bool, bool, float*)+libgromacs_mpi.so.9.0.00.050.000.030.010.010.001090.050.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 17403 - pme_pp.cpp:604-604 - libgromacs_mpi.so.9.0.0 [...]0.050.050.030.030.010.011080.050.01
setup_dd_communication(gmx_domdec_t*, float (*) [3], gmx_ddbox_t*, t_forcerec*, t_state*) [clone .extracted]+libgromacs_mpi.so.9.0.00.050.000.020.000.010.001040.040.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 3520 - partition.cpp:1436-2053 - libgromacs_mpi.so.9.0.0 [...]+0.050.000.050.000.010.0000.000.00
Loop 3521 - partition.cpp:1436-2050 - libgromacs_mpi.so.9.0.0 [...]+0.050.040.050.020.010.011040.040.01
Loop 3530 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3535 - partition.cpp:1698-1700 - libgromacs_mpi.so.9.0.00.000.000.010.010.000.0020.000.00
Loop 3538 - partition.cpp:1667-1669 - libgromacs_mpi.so.9.0.00.000.000.010.010.000.0050.020.00
Loop 3528 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3532 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3537 - partition.cpp:1680-1688 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0020.000.00
Loop 3525 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3536 - partition.cpp:1680-1685 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0020.000.00
Loop 3533 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3531 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3522 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3529 - stl_algobase.h:2070-2070 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3526 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3523 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3534 - partition.cpp:1741-1743 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0050.000.00
Loop 3524 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3527 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
evaluate_single(float, float, float const*, float, float, float, float, float*, float*)libgromacs_mpi.so.9.0.00.050.050.040.040.010.01870.070.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const (*) [3], nbnxn_atomdata_t*) [clone .extracted]+libgromacs_mpi.so.9.0.00.040.000.030.000.010.001050.050.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 1438 - atomdata.cpp:960-982 - libgromacs_mpi.so.9.0.0 [...]+0.040.000.040.000.010.0010.000.00
Loop 1439 - atomdata.cpp:965-982 - libgromacs_mpi.so.9.0.0 [...]+0.040.010.040.010.010.00380.010.00
Loop 1440 - atomdata.cpp:973-982 - libgromacs_mpi.so.9.0.0 [...]0.040.040.030.030.000.00930.040.01
Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)+libgromacs_mpi.so.9.0.00.040.000.040.000.010.00990.060.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 1546 - grid.cpp:427-432 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1544 - grid.cpp:416-421 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0030.000.00
Loop 1548 - stl_algobase.h:262-262 - libgromacs_mpi.so.9.0.0 [...]+0.010.010.030.010.000.00420.020.00
Loop 1549 - grid.cpp:386-388 - libgromacs_mpi.so.9.0.0 [...]0.000.000.010.010.000.00120.010.00
Loop 1550 - grid.cpp:398-398 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0010.000.00
Loop 1547 - grid.cpp:427-432 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1545 - grid.cpp:416-421 - libgromacs_mpi.so.9.0.00.030.030.020.020.000.00770.040.00
dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*)libgromacs_mpi.so.9.0.00.040.040.040.040.010.01780.070.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
gmx_sum_qgrid_dd(gmx_pme_t*, float*, int)+libgromacs_mpi.so.9.0.00.040.000.040.010.010.00590.080.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 17280 - pme_grid.cpp:80-256 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.030.010.000.00110.010.00
Loop 17282 - pme_grid.cpp:254-256 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17281 - pme_grid.cpp:254-256 - libgromacs_mpi.so.9.0.00.010.010.030.030.000.00390.030.00
Loop 17283 - pme_grid.cpp:80-177 - libgromacs_mpi.so.9.0.0 [...]+0.030.000.070.000.000.00120.000.00
Loop 17284 - pme_grid.cpp:80-176 - libgromacs_mpi.so.9.0.0 [...]+0.020.000.040.000.000.0010.000.00
Loop 17285 - pme_grid.cpp:80-176 - libgromacs_mpi.so.9.0.0 [...]+0.020.000.030.010.000.0050.020.00
Loop 17288 - pme_grid.cpp:166-171 - libgromacs_mpi.so.9.0.00.020.020.020.020.000.00450.040.00
Loop 17286 - pme_grid.cpp:166-171 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17289 - pme_grid.cpp:166-171 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17287 - pme_grid.cpp:166-171 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17295 - pme_grid.cpp:80-127 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.010.000.000.0040.000.00
Loop 17296 - pme_grid.cpp:80-127 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.010.010.000.00190.010.00
Loop 17299 - pme_grid.cpp:123-127 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17298 - pme_grid.cpp:123-127 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17297 - pme_grid.cpp:123-127 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17290 - pme_grid.cpp:80-177 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.010.010.000.0020.030.00
Loop 17291 - pme_grid.cpp:80-177 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0080.000.00
Loop 17294 - pme_grid.cpp:166-177 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17293 - pme_grid.cpp:166-177 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17292 - pme_grid.cpp:166-177 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
MPIR_Sendrecv_impllibmpi.so.12.0.00.040.040.020.020.010.011190.030.00MPI (%): 100.00
std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, floa...+libgromacs_mpi.so.9.0.00.040.000.040.000.010.00720.070.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 16947 - bonded.cpp:1913-2011 - libgromacs_mpi.so.9.0.0 [...]+0.040.010.050.020.010.00230.030.00
Loop 16948 - bonded.cpp:1913-2008 - libgromacs_mpi.so.9.0.0 [...]0.030.030.030.030.000.00680.070.01
mkl_dft_def_ownscDftInv_PrimeFact_32fclibmkl_def.so.20.040.040.040.040.010.01600.070.01Math (%): 100.00
expgmx_mpi0.040.040.020.020.010.011210.030.00Math (%): 100.00
gmx::dd_partition_system(_IO_FILE*, gmx::MDLogger const&, long, t_commrec const*, bool, t_state*, gmx_mtop_t const&, t_inputrec const&, gmx::MDModulesNotifiers const&, gmx::ImdSession*, pull_t*, t_state*, gmx::ForceBuffers*, gmx::MDAtoms*, ...+libgromacs_mpi.so.9.0.00.040.000.020.000.010.001000.040.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 3415 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3432 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3465 - hashedmap.h:103-106 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3454 - partition.cpp:726-733 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0010.000.00
Loop 3426 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3421 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3417 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0010.000.00
Loop 3435 - partition.cpp:425-435 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3427 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0030.000.00
Loop 3354 - stl_algobase.h:262-1128 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.040.000.000.0000.000.00
Loop 3353 - partition.cpp:448-3367 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.040.000.000.0010.000.00
Loop 3409 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3374 - partition.cpp:2206-2208 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3410 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3356 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3358 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3368 - partition.cpp:3219-3240 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3411 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3366 - partition.cpp:555-569 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3364 - partition.cpp:577-608 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3365 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3380 - partition.cpp:1360-2182 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.030.000.000.0050.000.00
Loop 3399 - partition.cpp:2095-2099 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3381 - partition.cpp:1396-1411 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3383 - utility.h:82-89 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3382 - utility.h:82-82 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3398 - partition.cpp:2095-2099 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3384 - partition.cpp:1361-1387 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3393 - partition.cpp:1369-1373 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3385 - wallcycle.h:411-411 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3386 - partition.cpp:1385-1387 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3394 - partition.cpp:1369-1373 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3388 - partition.cpp:1376-1387 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3389 - partition.cpp:1385-1387 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3387 - partition.cpp:1380-1382 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3390 - partition.cpp:1380-1382 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3391 - partition.cpp:1376-1387 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3392 - partition.cpp:1385-1387 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3400 - partition.cpp:1959-2075 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3401 - partition.cpp:2063-2075 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3402 - partition.cpp:1968-1984 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0010.000.00
Loop 3403 - partition.cpp:1973-1981 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3404 - partition.cpp:1973-1981 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3395 - partition.cpp:2150-2164 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.020.000.000.0000.000.00
Loop 3397 - utility.h:82-89 - libgromacs_mpi.so.9.0.0 [...]+0.010.010.020.010.000.00260.020.00
Loop 3396 - utility.h:82-82 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0010.000.00
Loop 3361 - mdmodulesnotifier.h:107-107 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3367 - partition.cpp:555-569 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3405 - partition.cpp:1504-1514 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3407 - stl_algobase.h:262-262 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3406 - partition.cpp:1509-1514 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3413 - ga2la.h:156-158 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3362 - partition.cpp:615-624 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3357 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3372 - partition.cpp:3195-3197 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3369 - partition.cpp:3218-3232 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3370 - domdec_internal.h:249-251 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3371 - domdec_internal.h:249-251 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3359 - partition.cpp:2541-2541 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3360 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3376 - partition.cpp:1421-2189 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3377 - partition.cpp:1421-1427 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3378 - partition.cpp:1423-1427 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3379 - partition.cpp:1423-1427 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3375 - partition.cpp:1924-1926 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3408 - new_allocator.h:168-168 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3373 - partition.cpp:2217-2221 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3412 - hashedmap.h:290-293 - libgromacs_mpi.so.9.0.0 [...]0.000.000.010.010.000.00190.010.00
Loop 3363 - partition.cpp:615-624 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3355 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3453 - partition.cpp:150-163 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3429 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3416 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3475 - partition.cpp:666-918 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3483 - partition.cpp:876-895 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3476 - partition.cpp:876-879 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3486 - partition.cpp:876-904 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3480 - partition.cpp:876-904 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3487 - partition.cpp:876-911 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3491 - partition.cpp:876-911 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3484 - partition.cpp:876-904 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3489 - partition.cpp:876-911 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3479 - partition.cpp:876-895 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3477 - partition.cpp:876-879 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3490 - partition.cpp:876-911 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3488 - partition.cpp:876-911 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3493 - partition.cpp:876-911 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3481 - partition.cpp:876-899 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3494 - partition.cpp:876-911 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3482 - partition.cpp:876-904 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3485 - partition.cpp:876-899 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3478 - partition.cpp:876-911 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3492 - partition.cpp:876-911 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3473 - partition.cpp:932-936 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3420 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3433 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3462 - hashedmap.h:103-106 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3457 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3458 - partition.cpp:449-451 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3460 - partition.cpp:469-471 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3414 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3461 - partition.cpp:469-471 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3424 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3434 - partition.cpp:425-427 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3470 - hashedmap.h:290-293 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3459 - partition.cpp:469-471 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3428 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3467 - ga2la.h:156-158 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3423 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0020.000.00
Loop 3456 - utility.h:82-89 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3455 - utility.h:82-82 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3422 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3431 - partition.cpp:2557-2561 - libgromacs_mpi.so.9.0.0 [...]0.000.000.010.010.000.0040.000.00
Loop 3474 - partition.cpp:932-936 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3471 - ga2la.h:156-158 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3430 - partition.cpp:2557-2561 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3418 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3419 - stl_algobase.h:386-388 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3468 - hashedmap.h:229-255 - libgromacs_mpi.so.9.0.0 [...]+0.020.020.020.020.000.00760.030.00
Loop 3469 - hashedmap.h:232-255 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0040.000.00
Loop 3472 - partition.cpp:1183-1187 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3425 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0020.000.00
Loop 3436 - partition.cpp:171-384 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.010.000.000.0020.000.00
Loop 3450 - partition.cpp:174-251 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0020.000.00
Loop 3451 - partition.cpp:247-251 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3437 - partition.cpp:174-384 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0040.000.00
Loop 3448 - partition.cpp:276-299 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3441 - partition.cpp:310-314 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3449 - partition.cpp:276-299 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3446 - partition.cpp:276-276 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3440 - partition.cpp:351-355 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3438 - partition.cpp:377-379 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3439 - partition.cpp:361-363 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3443 - partition.cpp:310-322 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3447 - partition.cpp:276-299 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3445 - partition.cpp:276-276 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3442 - partition.cpp:310-337 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3444 - partition.cpp:276-276 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3452 - partition.cpp:186-198 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3466 - hashedmap.h:290-293 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3464 - utility.h:82-89 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3463 - utility.h:82-82 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
MPIDIG_progress_compl_listlibmpi.so.12.0.00.040.040.030.030.000.001100.040.00MPI (%): 100.00
__kmp_fork_calllibiomp5.so0.040.040.020.020.000.001130.030.00OMP (%): 100.00
setup_specat_communication(gmx_domdec_t*, std::vector<int, std::allocator<int> >*, gmx_domdec_specat_comm_t*, gmx::HashedMap<int>*, int, int, char const*, char const*)+libgromacs_mpi.so.9.0.00.040.000.030.000.000.00970.040.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 3211 - vector.tcc:640-707 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0030.000.00
Loop 3192 - hashedmap.h:274-282 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3193 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3194 - hashedmap.h:274-282 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 3195 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3196 - domdec_specatomcomm.cpp:376-566 - libgromacs_mpi.so.9.0.0 [...]+0.040.000.060.000.000.0000.000.00
Loop 3200 - stl_algobase.h:262-1128 - libgromacs_mpi.so.9.0.0 [...]+0.030.000.050.000.000.0020.000.00
Loop 3204 - hashedmap.h:274-282 - libgromacs_mpi.so.9.0.0 [...]+0.030.010.040.010.000.00350.010.00
Loop 3206 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.020.020.020.020.000.00690.030.00
Loop 3205 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.010.010.010.010.000.00280.010.00
Loop 3210 - stl_algobase.h:386-386 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3202 - stl_iterator.h:1244-1244 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3207 - stl_algobase.h:386-386 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3208 - stl_algobase.h:386-386 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3201 - domdec_specatomcomm.cpp:527-529 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3203 - domdec_specatomcomm.cpp:503-503 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0020.000.00
Loop 3209 - stl_algobase.h:386-386 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 3197 - hashedmap.h:75-204 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.010.000.000.0060.000.00
Loop 3199 - hashedmap.h:167-170 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0050.000.00
Loop 3198 - hashedmap.h:187-189 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
__I_MPI___intel_avx_rep_memcpylibmpifort.so.12.0.00.040.040.030.030.000.001140.040.01MPI (%): 100.00
mkl_dft_def_ownscDftFwd_PrimeFact_32fclibmkl_def.so.20.040.040.030.030.000.00620.060.01Math (%): 100.00
gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) [clone .extracted]+libgromacs_mpi.so.9.0.00.030.000.030.000.000.00930.040.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 15498 - update.cpp:1702-1706 - libgromacs_mpi.so.9.0.00.030.030.030.030.000.00930.040.00
Loop 15497 - update.cpp:1702-1706 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0010.000.00
__kmpc_end_serialized_parallellibiomp5.so0.030.030.030.030.000.001020.030.00OMP (%): 100.00
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_mpi.so.9.0.00.030.000.050.000.000.00340.120.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 16892 - bonded.cpp:2179-2256 - libgromacs_mpi.so.9.0.0 [...]+0.030.020.070.050.000.00330.100.01
Loop 16893 - bonded.cpp:2185-2213 - libgromacs_mpi.so.9.0.0 [...]0.010.010.020.020.000.00200.040.00
Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*)+libgromacs_mpi.so.9.0.00.030.010.020.010.000.00910.030.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 1527 - grid.cpp:477-484 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 1524 - grid.cpp:634-634 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 1525 - grid.cpp:634-634 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 1523 - grid.cpp:599-606 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 1534 - grid.cpp:913-917 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1520 - grid.cpp:532-537 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 1531 - grid.cpp:923-925 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1526 - grid.cpp:477-484 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 1529 - grid.cpp:505-510 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 1535 - grid.cpp:818-891 - libgromacs_mpi.so.9.0.0 [...]+0.020.000.030.010.000.00230.000.00
Loop 1537 - grid.cpp:857-859 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1539 - grid.cpp:825-836 - libgromacs_mpi.so.9.0.0 [...]0.010.010.010.010.000.00390.020.00
Loop 1538 - grid.cpp:825-836 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0030.000.00
Loop 1536 - grid.cpp:857-859 - libgromacs_mpi.so.9.0.00.000.000.010.010.000.0030.000.00
Loop 1528 - grid.cpp:505-510 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 1532 - grid.cpp:913-917 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1530 - grid.cpp:923-925 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.00110.000.00
Loop 1521 - grid.cpp:532-537 - libgromacs_mpi.so.9.0.0 [...]0.000.000.010.010.000.0080.010.00
Loop 1522 - grid.cpp:599-606 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 1533 - grid.cpp:913-917 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
gmx::LegacySimulator::do_md()+libgromacs_mpi.so.9.0.00.030.000.030.000.000.00840.040.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 17891 - md.cpp:554-566 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17881 - stl_vector.h:366-386 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 17882 - stl_vector.h:366-386 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17886 - std_function.h:243-244 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17890 - md.cpp:717-717 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17889 - md.cpp:717-717 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17887 - md.cpp:232-2136 - libgromacs_mpi.so.9.0.0 [...]+0.030.030.030.030.000.00840.040.00
Loop 17888 - std_function.h:247-591 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17884 - new_allocator.h:168-168 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17885 - new_allocator.h:168-168 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17883 - std_function.h:243-244 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
MPI_T_category_get_pvarslibmpi.so.12.0.00.030.030.020.020.000.00920.030.00MPI (%): 100.00
MPID_Progress_idle_timer_ticklibmpi.so.12.0.00.030.030.020.020.000.00860.030.00MPI (%): 100.00
MPI_Isendlibmpi.so.12.0.00.030.030.020.020.000.00820.040.00MPI (%): 100.00
do_force(_IO_FILE*, t_commrec const*, gmx_multisim_t const*, t_inputrec const&, gmx::MDModulesNotifiers const&, gmx::Awh*, gmx_enfrot*, gmx::ImdSession*, pull_t*, long, t_nrnb*, gmx_wallcycle*, gmx_localtop_t const*, float const (*) [3], gmx::Array...+libgromacs_mpi.so.9.0.00.030.030.020.020.000.00830.030.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 15358 - sim_util.cpp:2024-2028 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0010.000.00
Loop 15356 - sim_util.cpp:491-500 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 15359 - mdmodulesnotifier.h:107-107 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 15355 - sim_util.cpp:491-500 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 15357 - wallcycle.h:391-498 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
MPIR_Sendrecv_replace_impllibmpi.so.12.0.00.030.030.020.020.000.00830.030.00MPI (%): 100.00
mkl_dft_def_ippsFFTInv_CCSToR_32flibmkl_def.so.20.030.030.030.030.000.00570.050.01Math (%): 100.00
__kmp_serialized_parallellibiomp5.so0.030.030.020.020.000.00940.030.00OMP (%): 100.00
DftiComputeBackwardlibmkl_intel_lp64.so.20.020.020.020.020.000.00500.050.01Math (%): 100.00
do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<bool const>, gmx::ArrayRef<un...+libgromacs_mpi.so.9.0.00.020.000.030.000.000.00630.050.01/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 17113 - pairs.cpp:616-828 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17114 - pairs.cpp:616-828 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17111 - vec.h:141-345 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17119 - vec.h:141-345 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17116 - vec.h:141-345 - libgromacs_mpi.so.9.0.0 [...]0.020.020.030.030.000.00570.050.01
Loop 17117 - vec.h:141-345 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17115 - pairs.cpp:616-828 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17112 - vec.h:141-345 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17120 - vec.h:141-345 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17118 - vec.h:141-345 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*)libgromacs_mpi.so.9.0.00.020.020.020.020.000.00670.040.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
MPIR_Waitalllibmpi.so.12.0.00.020.020.020.020.000.00540.040.00MPI (%): 100.00
MPI_Irecvlibmpi.so.12.0.00.020.020.020.020.000.00700.020.00MPI (%): 100.00
DftiComputeForwardlibmkl_intel_lp64.so.20.020.020.020.020.000.00460.040.00Math (%): 100.00
mpi_combiner_2_hcoll_combinerlibmpi.so.12.0.00.020.020.020.020.000.00520.040.00MPI (%): 100.00
do_lookup_xld-linux-x86-64.so.20.020.020.010.010.000.00800.010.00System (%): 100.00
gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+libgromacs_mpi.so.9.0.00.020.000.020.010.000.00620.030.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 4243 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0020.000.00
Loop 4247 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 4250 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 4241 - threaded_force_buffer.cpp:97-99 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 4244 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 4252 - threaded_force_buffer.cpp:78-78 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0070.000.00
Loop 4253 - threaded_force_buffer.cpp:78-78 - libgromacs_mpi.so.9.0.0 [...]0.010.010.010.010.000.00500.030.00
Loop 4242 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0010.000.00
Loop 4246 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 4245 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0020.000.00
Loop 4248 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 4251 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 4249 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
MPI_Sendrecvlibmpi.so.12.0.00.020.020.010.010.000.00660.030.00MPI (%): 100.00
__libm_acosf_z0gmx_mpi0.020.020.020.020.000.00540.040.00Math (%): 100.00
MPIR_Request_completion_processinglibmpi.so.12.0.00.020.020.020.020.000.00630.020.00MPI (%): 100.00
int make_bondeds_zone<false>(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*, b...+libgromacs_mpi.so.9.0.00.020.000.020.000.000.00650.030.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 3265 - localtopology.cpp:104-701 - libgromacs_mpi.so.9.0.0 [...]+0.020.010.020.010.000.00500.020.00
Loop 3266 - stl_algo.h:574-579 - libgromacs_mpi.so.9.0.0 [...]0.010.010.010.010.000.00240.010.00
MPIDI_GPU_request_completelibmpi.so.12.0.00.020.020.010.010.000.00700.020.00MPI (%): 100.00
__kmp_join_calllibiomp5.so0.020.020.010.010.000.00690.020.00OMP (%): 100.00
std::pair<std::__detail::_Node_iterator<std::pair<AtomNonbondedAndKineticProperties const, int>, false, false>, bool> std::_Hashtable<AtomNonbondedAndKineticProperties, std::pair<AtomNonbondedAndKineticProperties const, int>, std...+libgromacs_mpi.so.9.0.00.020.020.010.010.000.00650.020.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 14272 - calc_verletbuf.h:257-259 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 14270 - hashtable.h:2575-2592 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 14271 - hashtable.h:1946-1949 - libgromacs_mpi.so.9.0.0 [...]0.000.000.010.010.000.0080.010.00
MPIDU_Init_shm_barrierlibmpi.so.12.0.00.020.020.020.020.000.00590.030.00MPI (%): 100.00
compute_1d_small_bwdlibmkl_def.so.20.020.020.030.030.000.00450.050.01Math (%): 100.00
globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)+libgromacs_mpi.so.9.0.00.020.010.020.010.000.00560.030.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 3594 - reversetopology.cpp:141-146 - libgromacs_mpi.so.9.0.00.010.010.010.010.000.00280.020.00
MPIC_Isendlibmpi.so.12.0.00.020.000.020.000.000.00420.040.00MPI (%): 100.00
sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted]+libgromacs_mpi.so.9.0.00.020.000.020.000.000.00560.030.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 15362 - sim_util.cpp:150-151 - libgromacs_mpi.so.9.0.0 [...]0.020.020.020.020.000.00560.030.00
compute_1d_small_bwdlibmkl_def.so.20.020.020.010.010.000.00440.030.00Math (%): 100.00
MPI_Recvlibmpi.so.12.0.00.010.010.010.010.000.00600.020.00MPI (%): 100.00
gmx::InMemoryDeserializer::doInt(int*)+libgromacs_mpi.so.9.0.00.010.010.000.000.000.00680.000.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 189 - inmemoryserializer.cpp:92-92 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0080.000.00
gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.9.0.00.010.010.020.020.000.00430.030.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo...+libgromacs_mpi.so.9.0.00.010.010.020.010.000.00420.030.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 17223 - pme.cpp:1664-1679 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0060.000.00
Loop 17244 - pme.cpp:1156-1159 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17224 - new_allocator.h:168-168 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 17228 - pme.cpp:1092-1097 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17236 - pme.cpp:1479-1481 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17235 - pme.cpp:1479-1481 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17225 - pme.cpp:1092-1652 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 17227 - pme.cpp:1104-1106 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17226 - pme.cpp:1104-1106 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17230 - wallcycle.h:391-498 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 17232 - pme.cpp:1104-1106 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17231 - pme.cpp:1104-1106 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17238 - pme.cpp:1472-1474 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17234 - pme.cpp:1092-1097 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17233 - pme.cpp:1092-1097 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17229 - pme.cpp:1092-1097 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17237 - pme.cpp:1472-1474 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17239 - pme.cpp:1202-1414 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.020.000.000.0010.000.00
Loop 17240 - pme.cpp:1202-1414 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.010.000.000.00100.000.00
Loop 17241 - pme.cpp:1223-1223 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17242 - pme.cpp:1202-1414 - libgromacs_mpi.so.9.0.0 [...]0.010.010.010.010.000.00240.010.00
Loop 17243 - new_allocator.h:168-168 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
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_mpi.so.9.0.00.010.000.010.000.000.00480.030.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 3105 - domdec_constraints.cpp:206-452 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.040.000.000.0000.000.00
Loop 3106 - idef.h:231-235 - libgromacs_mpi.so.9.0.0 [...]+0.010.010.040.010.000.00260.020.00
Loop 3108 - ga2la.h:112-126 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.010.010.000.0060.000.00
Loop 3109 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0050.000.00
Loop 3110 - ga2la.h:112-126 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.010.010.000.00100.010.00
Loop 3111 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.00130.000.00
Loop 3107 - mtop_lookup.h:93-106 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0010.000.00
make_dd_indices(gmx_domdec_t*, int)+libgromacs_mpi.so.9.0.00.010.000.010.000.000.00520.020.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 3503 - partition.cpp:515-540 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.030.000.000.0010.000.00
Loop 3504 - partition.cpp:529-540 - libgromacs_mpi.so.9.0.0 [...]+0.010.010.020.010.000.00360.020.00
Loop 3505 - hashedmap.h:187-189 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0050.000.00
Loop 3506 - hashedmap.h:167-167 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.00180.000.00
gmx_pmeonly(gmx_pme_t**, t_commrec const*, t_nrnb*, gmx_wallcycle*, gmx_walltime_accounting*, t_inputrec*, PmeRunMode, bool, bool, gmx::DeviceStreamManager const*)+libgromacs_mpi.so.9.0.00.010.000.020.000.000.00410.030.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 17394 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17376 - unique_ptr.h:99-403 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17396 - pme_only.cpp:148-153 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 17397 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17398 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17400 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17392 - pme_only.cpp:870-873 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17382 - pme_only.cpp:148-860 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.030.000.000.0000.000.00
Loop 17393 - pme_only.cpp:408-424 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17377 - pme_only.cpp:393-393 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17383 - pme_only.cpp:148-860 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.030.000.000.0000.000.00
Loop 17378 - stl_uninitialized.h:1120-1132 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.020.000.000.0000.000.00
Loop 17391 - pme_only.cpp:197-200 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17379 - pme_only.cpp:181-860 - libgromacs_mpi.so.9.0.0 [...]+0.010.010.020.010.000.00290.020.00
Loop 17380 - pme_only.cpp:588-609 - libgromacs_mpi.so.9.0.0 [...]0.000.000.010.010.000.00190.020.00
Loop 17381 - pme_only.cpp:468-509 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0030.000.00
Loop 17386 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17389 - pme_only.cpp:352-354 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17384 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17390 - pme_only.cpp:331-345 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17385 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17388 - pme_only.cpp:354-354 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0010.000.00
Loop 17387 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17395 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 17399 - stl_uninitialized.h:1105-1105 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
__kmpc_fork_calllibiomp5.so0.010.010.010.010.000.00540.020.00OMP (%): 100.00
_dl_lookup_symbol_xld-linux-x86-64.so.20.010.010.010.010.000.00580.010.00System (%): 100.00
gmx::constr_recur(gmx::ListOfLists<int> const&, std::array<InteractionList, 94ul> const&, gmx::ArrayRef<t_iparams const>, bool, int, int, int, gmx::ArrayRef<int>, float, float, float*, int*)+libgromacs_mpi.so.9.0.00.010.000.000.000.000.00660.000.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 14387 - constraintrange.cpp:79-152 - libgromacs_mpi.so.9.0.0 [...]+0.010.010.010.000.000.00390.000.00
Loop 14390 - constraintrange.cpp:83-85 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.00160.000.00
Loop 14391 - constraintrange.cpp:83-85 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 14388 - constraintrange.cpp:124-129 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 14389 - constraintrange.cpp:124-129 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
__tls_get_addrld-linux-x86-64.so.20.010.000.020.000.000.00510.020.00System (%): 100.00
mkl_dft_def_ippsDFTInv_CToC_32fclibmkl_def.so.20.010.010.010.010.000.00420.030.00Math (%): 100.00
mkl_dft_def_ippsFFTFwd_RToPerm_32flibmkl_def.so.20.010.010.020.020.000.00370.030.00Math (%): 100.00
compute_1d_small_fwdlibmkl_def.so.20.010.010.020.020.000.00400.030.00Math (%): 100.00
MPIDIG_dequeue_unexplibmpi.so.12.0.00.010.010.020.010.000.00490.020.00MPI (%): 100.00
mkl_dft_def_ippsDFTFwd_CToC_32fclibmkl_def.so.20.010.010.010.010.000.00390.030.00Math (%): 100.00
walk_out(int, int, int, int, int, gmx::ArrayRef<int const>, gmx::ArrayRef<int const>, gmx::ListOfLists<int> const&, gmx_ga2la_t const&, bool, gmx_domdec_constraints_t*, gmx_domdec_specat_comm_t*, InteractionList*, std::vector<i...+libgromacs_mpi.so.9.0.00.010.010.010.010.000.00400.030.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 3092 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0010.000.00
Loop 3090 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0020.000.00
Loop 3089 - hashedmap.h:167-167 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0020.000.00
Loop 3088 - hashedmap.h:187-187 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 3086 - ga2la.h:112-126 - libgromacs_mpi.so.9.0.0 [...]+0.010.010.020.010.000.00210.010.00
Loop 3087 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.010.010.000.0020.030.00
Loop 3091 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
__GI___libc_malloclibc.so.60.010.010.010.010.000.00500.020.00Memory (%): 100.00
MPIDIG_send_long_req_target_msg_cblibmpi.so.12.0.00.010.010.020.020.000.00450.020.00MPI (%): 100.00
compute_1d_small_fwdlibmkl_def.so.20.010.010.010.010.000.00370.020.00Math (%): 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_mpi.so.9.0.00.010.000.010.000.000.00470.020.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 1540 - grid.cpp:1034-1095 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.020.000.000.0030.000.00
Loop 1542 - grid.cpp:1093-1095 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1543 - grid.cpp:1070-1089 - libgromacs_mpi.so.9.0.0 [...]0.010.010.010.010.000.00410.020.00
Loop 1541 - grid.cpp:1093-1095 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0010.000.00
nbnxn_atomdata_set(nbnxn_atomdata_t*, Nbnxm::GridSet const&, gmx::ArrayRef<int const>, gmx::ArrayRef<float const>, gmx::ArrayRef<long const>)+libgromacs_mpi.so.9.0.00.010.000.010.000.000.00420.020.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 1415 - atomdata.cpp:803-824 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 1416 - atomdata.cpp:810-824 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 1418 - atomdata.cpp:816-824 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 1417 - atomdata.cpp:816-824 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
Loop 1419 - atomdata.cpp:674-780 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.020.000.000.0000.000.00
Loop 1423 - atomdata.cpp:674-765 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 1427 - atomdata.cpp:757-759 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1425 - atomdata.cpp:763-765 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1424 - atomdata.cpp:763-765 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1426 - atomdata.cpp:757-759 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1420 - atomdata.cpp:674-780 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.020.000.000.0050.000.00
Loop 1421 - atomdata.cpp:772-774 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0040.000.00
Loop 1422 - atomdata.cpp:772-774 - libgromacs_mpi.so.9.0.00.000.000.010.010.000.0080.010.00
Loop 1407 - atomdata.cpp:656-709 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.020.000.000.0010.000.00
Loop 1411 - atomdata.cpp:656-704 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.010.000.000.0010.000.00
Loop 1412 - atomdata.cpp:656-662 - libgromacs_mpi.so.9.0.00.000.000.010.010.000.00110.010.00
Loop 1408 - atomdata.cpp:656-704 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 1409 - atomdata.cpp:656-662 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1410 - atomdata.cpp:656-662 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1413 - atomdata.cpp:656-704 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 1414 - atomdata.cpp:656-662 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1428 - atomdata.cpp:125-686 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.020.000.000.0000.000.00
Loop 1429 - atomdata.cpp:125-686 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.020.010.000.00100.010.00
Loop 1433 - atomdata.cpp:125-127 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0060.000.00
Loop 1431 - atomdata.cpp:130-132 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1430 - atomdata.cpp:130-132 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1432 - atomdata.cpp:125-127 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0040.000.00
Loop 1402 - atomdata.cpp:674-889 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 1403 - atomdata.cpp:674-889 - libgromacs_mpi.so.9.0.0 [...]+0.000.000.000.000.000.0000.000.00
Loop 1405 - atomdata.cpp:842-854 - libgromacs_mpi.so.9.0.0+0.000.000.000.000.000.0000.000.00
Loop 1406 - atomdata.cpp:846-851 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 1404 - atomdata.cpp:842-854 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0000.000.00
_INTERNALae4d1d49::rml::internal::internalPoolMalloc(_INTERNALae4d1d49::rml::internal::MemoryPool*, unsigned long)libiomp5.so0.010.010.010.010.000.00460.010.00OMP (%): 100.00
wrap_periodic_pmegrid(gmx_pme_t const*, float*)+libgromacs_mpi.so.9.0.00.010.000.020.000.000.00380.030.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 17314 - pme_grid.cpp:465-471 - libgromacs_mpi.so.9.0.0+0.000.000.000.000.000.0000.000.00
Loop 17315 - pme_grid.cpp:467-471 - libgromacs_mpi.so.9.0.0+0.000.000.000.000.000.0000.000.00
Loop 17317 - pme_grid.cpp:469-471 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17316 - pme_grid.cpp:469-471 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17318 - pme_grid.cpp:449-455 - libgromacs_mpi.so.9.0.0+0.000.000.000.000.000.0000.000.00
Loop 17319 - pme_grid.cpp:451-455 - libgromacs_mpi.so.9.0.0+0.000.000.000.000.000.0000.000.00
Loop 17321 - pme_grid.cpp:453-455 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17320 - pme_grid.cpp:453-455 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
Loop 17322 - pme_grid.cpp:436-442 - libgromacs_mpi.so.9.0.0+0.010.000.020.000.000.0040.000.00
Loop 17323 - pme_grid.cpp:438-442 - libgromacs_mpi.so.9.0.0+0.010.000.020.000.000.0080.000.00
Loop 17324 - pme_grid.cpp:440-442 - libgromacs_mpi.so.9.0.00.010.010.010.010.000.00300.020.00
Loop 17325 - pme_grid.cpp:440-442 - libgromacs_mpi.so.9.0.00.000.000.000.000.000.0000.000.00
__kmp_invoke_microtasklibiomp5.so0.010.010.010.010.000.00440.020.00OMP (%): 100.00
atoms_to_constraints(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::ListOfLists<int> const>, int, InteractionList*, std::vector<int, std::allocator<int> >*)+libgromacs_mpi.so.9.0.00.010.000.010.000.000.00400.020.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 3082 - domdec_constraints.cpp:286-347 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.030.010.000.00180.010.00
Loop 3084 - ga2la.h:112-126 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.020.010.000.00200.010.00
Loop 3085 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.000.000.010.010.000.0070.020.00
Loop 3083 - mtop_lookup.h:93-106 - libgromacs_mpi.so.9.0.0 [...]0.000.000.000.000.000.0010.000.00
calcBondedForces(InteractionDefinitions const&, bonded_threading_t*, float const (*) [3], t_forcerec const*, t_pbc const*, float (*) [3], gmx_enerdata_t*, t_nrnb*, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float con...+libgromacs_mpi.so.9.0.00.010.000.010.000.000.00380.020.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
Loop 17046 - listed_forces.cpp:387-451 - libgromacs_mpi.so.9.0.0 [...]+0.010.000.020.000.000.0060.000.00
Loop 17047 - listed_forces.cpp:421-451 - libgromacs_mpi.so.9.0.0 [...]0.010.010.010.010.000.00290.020.00
gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.9.0.00.010.010.010.010.000.00330.030.00/home/eoseret/gromacs-2024.2/install_icx/lib64/libgromacs_mpi.so.9.0.0 (%): 100.00clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --driver-mode=g++ --intel -I /home/eoseret/gromacs-2024.2/src/include -I /home/eoseret/gromacs-2024.2/build_icx/sr...
mkl_dft_def_ippsDFTFwd_RToCCS_32flibmkl_def.so.20.010.010.010.010.000.00370.020.00Math (%): 100.00
×