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Profiling node ins01.benchmarkcenter.megware.com - process 14237 - thread 14237

NameModuleCoverage (%)Time (s)
ADIOI_GEN_SetLockDirect64libmpi.so.12.0.027.703.70
MPIDI_SHMGR_Gatherlibmpi.so.12.0.016.122.15
f64xsubf128libm.so.66.110.81
MPIR_Progress_hook_exec_on_vcilibmpi.so.12.0.05.960.79
energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)libgromacs_mpi.so.9.0.05.320.71
fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+libgromacs_mpi.so.9.0.04.570.61
Loop 17631 - wallcycle.h:391-498 - libgromacs_mpi.so.9.0.0+4.010.54
Loop 17644 - fft5d.cpp:758-789 - libgromacs_mpi.so.9.0.0+1.840.24
Loop 17645 - fft5d.cpp:779-789 - libgromacs_mpi.so.9.0.0+1.840.24
Loop 17646 - fft5d.cpp:783-789 - libgromacs_mpi.so.9.0.0+1.540.20
Loop 17648 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.820.11
Loop 17647 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.710.10
Loop 17649 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.300.04
Loop 17638 - fft5d.cpp:823-855 - libgromacs_mpi.so.9.0.0+1.310.18
Loop 17639 - fft5d.cpp:845-855 - libgromacs_mpi.so.9.0.0+1.310.18
Loop 17640 - fft5d.cpp:849-855 - libgromacs_mpi.so.9.0.0+1.310.18
Loop 17641 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.01.090.15
Loop 17642 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.00.220.03
Loop 17632 - fft5d.cpp:887-918 - libgromacs_mpi.so.9.0.0+0.860.11
Loop 17633 - fft5d.cpp:908-918 - libgromacs_mpi.so.9.0.0+0.860.11
Loop 17634 - fft5d.cpp:912-918 - libgromacs_mpi.so.9.0.0+0.820.11
Loop 17636 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.670.09
Loop 17635 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.150.02
Loop 17637 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.040.00
gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)libgromacs_mpi.so.9.0.04.240.57
.omp_outlined..2libgromacs_mpi.so.9.0.04.050.54
erfcflibm.so.63.640.49
MPID_Progress_waitlibmpi.so.12.0.02.740.37
impi_shm_heap_progresslibmpi.so.12.0.01.800.24
mkl_dft_def_ownscDftFwd_Prime8_32fclibmkl_def.so.21.310.17
solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs_mpi.so.9.0.01.160.15
Loop 17436 - pme_solve.cpp:233-560 - libgromacs_mpi.so.9.0.0+0.940.13
Loop 17443 - pme_solve.cpp:521-530 - libgromacs_mpi.so.9.0.00.220.03
Loop 17441 - pme_solve.cpp:533-542 - libgromacs_mpi.so.9.0.00.220.03
Loop 17440 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.00.150.02
Loop 17442 - pme_solve.cpp:535-542 - libgromacs_mpi.so.9.0.00.110.02
Loop 17446 - pme_solve.cpp:498-510 - libgromacs_mpi.so.9.0.00.110.02
Loop 17437 - pme_solve.cpp:556-560 - libgromacs_mpi.so.9.0.00.070.01
Loop 17449 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.00.040.00
MPIDI_SHMI_progresslibmpi.so.12.0.01.050.14
I_MPI_memcpy_multipage_sselibmpi.so.12.0.01.050.14
explibm.so.60.820.11
mkl_dft_def_ownscDftInv_Prime8_32fclibmkl_def.so.20.820.11
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.9.0.00.820.11
Loop 14220 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.0+0.820.11
Loop 14221 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.00.820.11
mkl_dft_def_owns_cRadix4FwdNorm_32fclibmkl_def.so.20.790.10
do_redist_pos_coeffs(gmx_pme_t*, t_commrec const*, bool, gmx::ArrayRef const>, gmx::ArrayRef)+libgromacs_mpi.so.9.0.00.750.10
Loop 17422 - pme_redistribute.cpp:126-501 - libgromacs_mpi.so.9.0.0+0.750.10
Loop 17425 - pme_redistribute.cpp:345-367 - libgromacs_mpi.so.9.0.00.750.10
.omp_outlined.#0xc0af60+libgromacs_mpi.so.9.0.00.750.10
Loop 1401 - pme_redistribute.cpp:81-138 - libgromacs_mpi.so.9.0.0+0.750.10
Loop 1403 - pme_redistribute.cpp:111-118 - libgromacs_mpi.so.9.0.00.410.06
Loop 1402 - pme_redistribute.cpp:96-103 - libgromacs_mpi.so.9.0.00.340.04
mkl_dft_def_ownscDftInv_Fact4_32fclibmkl_def.so.20.750.10
mkl_dft_def_owns_cRadix4InvNorm_32fclibmkl_def.so.20.710.09
dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef >, bool)+libgromacs_mpi.so.9.0.00.710.09
Loop 17419 - pme_redistribute.cpp:455-468 - libgromacs_mpi.so.9.0.00.710.09
mkl_dft_def_ownscDftFwd_Fact3_32fclibmkl_def.so.20.640.08
mkl_dft_def_owns_cRealRecombine_32flibmkl_def.so.20.520.07
.omp_outlined.#0xc138b0+libgromacs_mpi.so.9.0.00.520.07
Loop 1387 - pme_spread.cpp:75-923 - libgromacs_mpi.so.9.0.0+0.520.07
Loop 1394 - pme_spread.cpp:104-133 - libgromacs_mpi.so.9.0.00.520.07
MPID_Progress_completion_count_getlibmpi.so.12.0.00.450.06
mkl_dft_def_ownscDftInv_Fact3_32fclibmkl_def.so.20.450.06
I_MPI_memcpy_sselibmpi.so.12.0.00.260.03
MPIDIG_send_origin_cblibmpi.so.12.0.00.260.03
mkl_dft_def_ownscDftFwd_PrimeFact_32fclibmkl_def.so.20.220.03
MPIDIG_send_target_msg_cblibmpi.so.12.0.00.190.03
mkl_dft_def_ownscDftFwd_Fact4_32fclibmkl_def.so.20.150.02
mkl_dft_def_owns_cCcsRecombine_32flibmkl_def.so.20.150.02
mkl_dft_def_ownscDftInv_PrimeFact_32fclibmkl_def.so.20.150.02
copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+libgromacs_mpi.so.9.0.00.150.02
Loop 17305 - pme_grid.cpp:395-404 - libgromacs_mpi.so.9.0.0+0.150.02
Loop 17308 - pme_grid.cpp:402-404 - libgromacs_mpi.so.9.0.00.150.02
gmx_sum_qgrid_dd(gmx_pme_t*, float*, int)+libgromacs_mpi.so.9.0.00.150.02
Loop 17283 - pme_grid.cpp:80-177 - libgromacs_mpi.so.9.0.0+0.150.02
Loop 17289 - pme_grid.cpp:160-177 - libgromacs_mpi.so.9.0.0+0.070.01
Loop 17290 - pme_grid.cpp:163-177 - libgromacs_mpi.so.9.0.0+0.070.01
Loop 17293 - pme_grid.cpp:166-177 - libgromacs_mpi.so.9.0.00.070.01
Loop 17294 - pme_grid.cpp:117-127 - libgromacs_mpi.so.9.0.0+0.070.01
Loop 17295 - pme_grid.cpp:120-127 - libgromacs_mpi.so.9.0.0+0.070.01
Loop 17298 - pme_grid.cpp:123-127 - libgromacs_mpi.so.9.0.00.070.01
compute_1d_small_bwdlibmkl_def.so.20.150.02
MPIR_Waitalllibmpi.so.12.0.00.150.02
DftiComputeBackwardlibmkl_intel_lp64.so.20.110.02
MPIDIG_progress_compl_listlibmpi.so.12.0.00.110.02
mkl_dft_def_ippsFFTFwd_RToPerm_32flibmkl_def.so.20.070.01
copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)+libgromacs_mpi.so.9.0.00.070.01
Loop 17299 - pme_grid.cpp:299-309 - libgromacs_mpi.so.9.0.0+0.070.01
Loop 17300 - pme_grid.cpp:301-309 - libgromacs_mpi.so.9.0.0+0.070.01
Loop 17303 - pme_grid.cpp:303-309 - libgromacs_mpi.so.9.0.00.070.01
MPIU_Selection_set_coll_match_patternlibmpi.so.12.0.00.070.01
MPIDI_GPU_request_completelibmpi.so.12.0.00.070.01
__I_MPI___intel_avx_rep_memcpylibmpifort.so.12.0.00.070.01
gmx_omp_get_thread_num()libgromacs_mpi.so.9.0.00.070.01
unknown_functionlibgromacs_mpi.so.9.0.00.070.01
mkl_dft_def_ippsFFTInv_CCSToR_32flibmkl_def.so.20.040.00
mkl_serv_verbose_modelibmkl_core.so.20.040.00
gmx::CpuInfo::detect()libgromacs_mpi.so.9.0.00.040.00
gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.9.0.00.040.00
spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int)libgromacs_mpi.so.9.0.00.040.00
PmeAtomComm::setNumAtoms(int)libgromacs_mpi.so.9.0.00.040.00
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.9.0.00.040.00
Loop 17204 - pme.cpp:1202-1414 - libgromacs_mpi.so.9.0.00.040.00
compute_1d_small_bwdlibmkl_def.so.20.040.00
compute_1d_small_fwdlibmkl_def.so.20.040.00
__memset_avx512_unaligned_ermslibc.so.60.040.00
MPID_Progress_idle_timer_ticklibmpi.so.12.0.00.040.00
MPIR_Sendrecv_impllibmpi.so.12.0.00.040.00
MPIR_Sendrecv_replace_impllibmpi.so.12.0.00.040.00
MPIC_Irecvlibmpi.so.12.0.00.040.00
__GI___libc_freelibc.so.60.040.00
__GI___libc_malloclibc.so.60.040.00
MPID_Progress_test_impllibmpi.so.12.0.00.040.00
__kmp_fork_calllibomp.so0.040.00
MPIDI_coll_invokelibmpi.so.12.0.00.040.00
MPIDI_coll_selectlibmpi.so.12.0.00.040.00
__kmpc_barrierlibomp.so0.040.00
__kmpc_end_serialized_parallellibomp.so0.040.00
gmx::InMemoryDeserializer::doInt(int*)libgromacs_mpi.so.9.0.00.040.00
__tls_get_addrld-linux-x86-64.so.20.040.00
.plt.sec@startlibm.so.60.040.00
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