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Profiling node ins01.benchmarkcenter.megware.com - process 20294 - thread 20294

NameModuleCoverage (%)Time (s)
ADIOI_GEN_SetLockDirect64libmpi.so.12.0.034.6313.75
MPIDI_SHMGR_Gatherlibmpi.so.12.0.018.357.28
MPIR_Progress_hook_exec_on_vcilibmpi.so.12.0.010.754.27
MPID_Progress_waitlibmpi.so.12.0.05.252.08
gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)libgromacs_mpi.so.9.0.04.461.77
.omp_outlined..2libgromacs_mpi.so.9.0.03.291.31
impi_shm_heap_progresslibmpi.so.12.0.03.171.26
fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+libgromacs_mpi.so.9.0.02.410.96
Loop 17631 - wallcycle.h:391-498 - libgromacs_mpi.so.9.0.0+2.180.86
Loop 17644 - fft5d.cpp:758-789 - libgromacs_mpi.so.9.0.0+0.830.33
Loop 17645 - fft5d.cpp:779-789 - libgromacs_mpi.so.9.0.0+0.830.33
Loop 17646 - fft5d.cpp:783-789 - libgromacs_mpi.so.9.0.0+0.820.32
Loop 17647 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.440.17
Loop 17648 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.380.15
Loop 17649 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.010.00
Loop 17632 - fft5d.cpp:887-918 - libgromacs_mpi.so.9.0.0+0.780.31
Loop 17633 - fft5d.cpp:908-918 - libgromacs_mpi.so.9.0.0+0.780.31
Loop 17634 - fft5d.cpp:912-918 - libgromacs_mpi.so.9.0.0+0.770.30
Loop 17635 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.440.17
Loop 17636 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.330.13
Loop 17637 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.010.00
Loop 17638 - fft5d.cpp:823-855 - libgromacs_mpi.so.9.0.0+0.570.22
Loop 17639 - fft5d.cpp:845-855 - libgromacs_mpi.so.9.0.0+0.570.22
Loop 17640 - fft5d.cpp:849-855 - libgromacs_mpi.so.9.0.0+0.570.22
Loop 17641 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.00.500.20
Loop 17642 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.00.060.02
MPIDI_SHMI_progresslibmpi.so.12.0.02.070.82
f64xsubf128libm.so.61.940.77
energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)libgromacs_mpi.so.9.0.01.750.70
erfcflibm.so.61.150.46
MPID_Progress_completion_count_getlibmpi.so.12.0.01.070.42
mkl_dft_def_ownscDftFwd_Prime8_32fclibmkl_def.so.20.810.32
mkl_dft_def_ownscDftInv_Prime8_32fclibmkl_def.so.20.740.29
solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs_mpi.so.9.0.00.740.29
Loop 17436 - pme_solve.cpp:233-560 - libgromacs_mpi.so.9.0.0+0.720.28
Loop 17443 - pme_solve.cpp:521-530 - libgromacs_mpi.so.9.0.00.200.08
Loop 17446 - pme_solve.cpp:498-510 - libgromacs_mpi.so.9.0.00.180.07
Loop 17440 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.00.110.04
Loop 17441 - pme_solve.cpp:533-542 - libgromacs_mpi.so.9.0.00.080.03
Loop 17442 - pme_solve.cpp:535-542 - libgromacs_mpi.so.9.0.00.050.02
Loop 17437 - pme_solve.cpp:556-560 - libgromacs_mpi.so.9.0.00.040.01
Loop 17444 - pme_solve.cpp:523-530 - libgromacs_mpi.so.9.0.00.040.01
Loop 17454 - pme_solve.cpp:458-469 - libgromacs_mpi.so.9.0.00.010.00
Loop 17449 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.00.010.00
I_MPI_memcpy_multipage_sselibmpi.so.12.0.00.620.24
mkl_dft_def_owns_cRadix4InvNorm_32fclibmkl_def.so.20.590.23
energyDrift(gmx::ArrayRef, 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.9.0.00.440.17
Loop 14220 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.0+0.420.16
Loop 14221 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.00.420.16
mkl_dft_def_owns_cRadix4FwdNorm_32fclibmkl_def.so.20.420.16
mkl_dft_def_ownscDftFwd_Fact3_32fclibmkl_def.so.20.390.15
.omp_outlined.#0xc0af60+libgromacs_mpi.so.9.0.00.370.14
Loop 1401 - pme_redistribute.cpp:81-138 - libgromacs_mpi.so.9.0.0+0.370.14
Loop 1402 - pme_redistribute.cpp:96-103 - libgromacs_mpi.so.9.0.00.370.14
do_redist_pos_coeffs(gmx_pme_t*, t_commrec const*, bool, gmx::ArrayRef const>, gmx::ArrayRef)+libgromacs_mpi.so.9.0.00.330.13
Loop 17422 - pme_redistribute.cpp:126-501 - libgromacs_mpi.so.9.0.0+0.330.13
Loop 17425 - pme_redistribute.cpp:345-367 - libgromacs_mpi.so.9.0.00.330.13
.omp_outlined.#0xc138b0+libgromacs_mpi.so.9.0.00.330.13
Loop 1387 - pme_spread.cpp:75-923 - libgromacs_mpi.so.9.0.0+0.330.13
Loop 1394 - pme_spread.cpp:104-133 - libgromacs_mpi.so.9.0.00.330.13
mkl_dft_def_ownscDftInv_Fact3_32fclibmkl_def.so.20.290.11
dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef >, bool)+libgromacs_mpi.so.9.0.00.280.11
Loop 17419 - pme_redistribute.cpp:455-468 - libgromacs_mpi.so.9.0.00.280.11
mkl_dft_def_owns_cCcsRecombine_32flibmkl_def.so.20.260.10
explibm.so.60.250.10
mkl_dft_def_ownscDftInv_Fact4_32fclibmkl_def.so.20.250.10
mkl_dft_def_owns_cRealRecombine_32flibmkl_def.so.20.230.09
mkl_dft_def_ownscDftFwd_Fact4_32fclibmkl_def.so.20.200.08
__memset_avx512_unaligned_ermslibc.so.60.160.06
MPIDIG_send_target_msg_cblibmpi.so.12.0.00.160.06
copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)+libgromacs_mpi.so.9.0.00.150.06
Loop 17299 - pme_grid.cpp:299-309 - libgromacs_mpi.so.9.0.0+0.100.04
Loop 17300 - pme_grid.cpp:301-309 - libgromacs_mpi.so.9.0.0+0.100.04
Loop 17303 - pme_grid.cpp:303-309 - libgromacs_mpi.so.9.0.00.100.04
copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+libgromacs_mpi.so.9.0.00.110.04
Loop 17305 - pme_grid.cpp:395-404 - libgromacs_mpi.so.9.0.0+0.090.03
Loop 17308 - pme_grid.cpp:402-404 - libgromacs_mpi.so.9.0.00.090.03
MPID_Progress_idle_timer_ticklibmpi.so.12.0.00.110.04
mkl_dft_def_ownscDftFwd_PrimeFact_32fclibmkl_def.so.20.100.04
gmx_sum_qgrid_dd(gmx_pme_t*, float*, int)+libgromacs_mpi.so.9.0.00.090.03
Loop 17277 - pme_grid.cpp:191-256 - libgromacs_mpi.so.9.0.0+0.060.02
Loop 17280 - pme_grid.cpp:254-256 - libgromacs_mpi.so.9.0.00.060.02
wrap_periodic_pmegrid(gmx_pme_t const*, float*)+libgromacs_mpi.so.9.0.00.080.03
Loop 17322 - pme_grid.cpp:436-442 - libgromacs_mpi.so.9.0.0+0.080.03
Loop 17323 - pme_grid.cpp:438-442 - libgromacs_mpi.so.9.0.0+0.080.03
Loop 17325 - pme_grid.cpp:440-442 - libgromacs_mpi.so.9.0.00.080.03
unknown_functionlibgromacs_mpi.so.9.0.00.080.03
mkl_dft_def_ownscDftInv_PrimeFact_32fclibmkl_def.so.20.060.02
I_MPI_memcpy_sselibmpi.so.12.0.00.060.02
DftiComputeForwardlibmkl_intel_lp64.so.20.050.02
DftiComputeBackwardlibmkl_intel_lp64.so.20.050.02
mkl_dft_def_ippsFFTInv_CCSToR_32flibmkl_def.so.20.050.02
MPIR_Waitalllibmpi.so.12.0.00.050.02
MPIDIG_send_origin_cblibmpi.so.12.0.00.050.02
compute_1d_small_fwdlibmkl_def.so.20.040.01
mkl_dft_def_ippsDFTInv_CToC_32fclibmkl_def.so.20.030.01
mkl_dft_def_ippsDFTFwd_CToC_32fclibmkl_def.so.20.030.01
gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.9.0.00.030.01
gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.9.0.00.030.01
gmx_pme_do(gmx_pme_t*, gmx::ArrayRef const>, gmx::ArrayRef >, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, gmx::A...+libgromacs_mpi.so.9.0.00.030.01
Loop 17204 - pme.cpp:1202-1414 - libgromacs_mpi.so.9.0.00.010.00
.omp_outlined..3#0xc01c30+libgromacs_mpi.so.9.0.00.030.01
Loop 14248 - pme_grid.cpp:529-539 - libgromacs_mpi.so.9.0.0+0.030.01
Loop 14249 - pme_grid.cpp:535-539 - libgromacs_mpi.so.9.0.0+0.030.01
Loop 14251 - pme_grid.cpp:537-539 - libgromacs_mpi.so.9.0.00.030.01
mkl_dft_def_transfer_ipp_mkl_errorlibmkl_def.so.20.030.01
compute_1d_small_bwdlibmkl_def.so.20.030.01
compute_1d_small_bwdlibmkl_def.so.20.030.01
MPIC_Irecvlibmpi.so.12.0.00.030.01
MPIDIG_dequeue_unexplibmpi.so.12.0.00.030.01
__kmp_get_global_thread_id_reglibomp.so0.030.01
MPI_Sendrecvlibmpi.so.12.0.00.030.01
MPI_Sendlibmpi.so.12.0.00.030.01
__I_MPI___intel_avx_rep_memcpylibmpifort.so.12.0.00.030.01
.plt.sec@startlibm.so.60.030.01
mkl_dft_def_ippsDFTFwd_RToCCS_32flibmkl_def.so.20.010.00
mkl_serv_verbose_modelibmkl_core.so.20.010.00
gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.9.0.00.010.00
compute_1d_small_fwdlibmkl_def.so.20.010.00
__memcpy_avx512_unaligned_ermslibc.so.60.010.00
MPL_wtime_acclibmpi.so.12.0.00.010.00
MPID_Progress_yieldlibmpi.so.12.0.00.010.00
MPIR_Sendrecv_replace_impllibmpi.so.12.0.00.010.00
__kmp_api_omp_get_thread_numlibomp.so0.010.00
MPIC_Isendlibmpi.so.12.0.00.010.00
mkl_dft_def_ownscDftFwd_Fact4_32fc@pltlibmkl_def.so.20.010.00
int __kmp_barrier_template(barrier_type, int, int, unsigned long, void*, void (*)(void*, void*)) [clone .isra.33]libomp.so0.010.00
_int_freelibc.so.60.010.00
__kmp_push_current_task_to_threadlibomp.so0.010.00
MPIDIG_progress_compl_listlibmpi.so.12.0.00.010.00
__kmp_serialized_parallellibomp.so0.010.00
MPIDIG_get_context_indexlibmpi.so.12.0.00.010.00
MPIDI_GPU_request_freelibmpi.so.12.0.00.010.00
MPI_Recvlibmpi.so.12.0.00.010.00
__kmpc_barrierlibomp.so0.010.00
__kmpc_end_serialized_parallellibomp.so0.010.00
gmx::InMemoryDeserializer::doReal(float*)libgromacs_mpi.so.9.0.00.010.00
__tls_get_addrld-linux-x86-64.so.20.010.00
_dl_runtime_resolve_xsavecld-linux-x86-64.so.20.010.00
mkl_dft_def_transfer_ipp_mkl_error@pltlibmkl_def.so.20.010.00
_dl_lookup_symbol_xld-linux-x86-64.so.20.010.00
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