options

Profiling node ip-172-31-68-94 - process 513614 - thread 513614

NameModuleCoverage (%)Time (s)
mkl_blas_def_dgemm_kernel_zenlibmkl_def.so.226.7612.57
mkl_blas_def_dgemm_pstlibmkl_def.so.221.5710.13
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+libqmcwfs.so13.646.41
Loop 837 - MultiBsplineRef.hpp:187-286 - libqmcwfs.so+12.816.02
Loop 841 - MultiBsplineRef.hpp:226-262 - libqmcwfs.so+12.385.82
Loop 842 - MultiBsplineRef.hpp:227-262 - libqmcwfs.so+12.385.82
Loop 844 - MultiBsplineRef.hpp:242-262 - libqmcwfs.so12.385.82
Loop 839 - MultiBsplineRef.hpp:276-286 - libqmcwfs.so0.430.2
Loop 835 - einspline_spo_ref.hpp:219-227 - libqmcwfs.so+0.80.37
Loop 836 - einspline_spo_ref.hpp:223-227 - libqmcwfs.so0.80.37
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+libqmcwfs.so13.126.16
Loop 821 - MultiBsplineRef.hpp:42-71 - libqmcwfs.so+13.116.14
Loop 822 - MultiBsplineRef.hpp:63-71 - libqmcwfs.so+13.116.14
Loop 826 - MultiBsplineRef.hpp:68-70 - libqmcwfs.so3.431.61
Loop 823 - MultiBsplineRef.hpp:68-70 - libqmcwfs.so3.421.6
Loop 825 - MultiBsplineRef.hpp:68-70 - libqmcwfs.so3.211.5
Loop 824 - MultiBsplineRef.hpp:68-70 - libqmcwfs.so3.051.43
mkl_blas_def_dgemm_copybn_bdzlibmkl_def.so.26.763.17
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+libqmcparticle_omptarget.so2.491.17
Loop 204 - SoaDistanceTableAAOMPTarget.h:440-442 - libqmcparticle_omptarget.so2.491.17
mkl_blas_def_dgemm_copyan_bdzlibmkl_def.so.22.080.97
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so20.94
Loop 453 - SoaDistanceTableABOMPTarget.h:214-228 - libqmcparticle_omptarget.so+20.94
Loop 454 - SoaDistanceTableABOMPTarget.h:215-228 - libqmcparticle_omptarget.so+20.94
Loop 456 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so1.960.92
Loop 455 - SoaDistanceTableABOMPTarget.h:228-228 - libqmcparticle_omptarget.so0.040.02
qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const+libqmcwfs.so1.320.62
Loop 449 - BsplineFunctor.h:236-241 - libqmcwfs.so1.20.56
Loop 447 - BsplineFunctor.h:246-260 - libqmcwfs.so0.070.04
Loop 448 - BsplineFunctor.h:246-260 - libqmcwfs.so0.040.02
mkl_blas_def_xdgemvlibmkl_def.so.21.260.59
__nss_database_lookuplibc.so.61.090.51
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+libqmcparticle_omptarget.so1.020.48
Loop 219 - ParticleBConds3DSoa.h:234-255 - libqmcparticle_omptarget.so1.020.48
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.750.35
Loop 638 - TwoBodyJastrowRef.h:324-331 - libqmcwfs.so0.210.1
Loop 631 - TwoBodyJastrowRef.h:342-347 - libqmcwfs.so0.20.09
Loop 633 - TwoBodyJastrowRef.h:342-347 - libqmcwfs.so0.190.09
Loop 635 - TwoBodyJastrowRef.h:342-347 - libqmcwfs.so0.140.07
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+libqmcwfs.so0.610.28
Loop 453 - BsplineFunctor.h:291-298 - libqmcwfs.so0.510.24
Loop 450 - BsplineFunctor.h:302-336 - libqmcwfs.so0.060.03
Loop 451 - BsplineFunctor.h:302-336 - libqmcwfs.so0.010
Loop 452 - BsplineFunctor.h:302-336 - libqmcwfs.so0.010
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+libqmcwfs.so0.610.28
Loop 913 - OhmmsVector.h:223-223 - libqmcwfs.so+0.60.28
Loop 915 - inner_product.hpp:155-155 - libqmcwfs.so0.360.17
Loop 914 - inner_product.hpp:82-83 - libqmcwfs.so0.240.11
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.560.26
Loop 901 - inner_product.hpp:155-155 - libqmcwfs.so0.560.26
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+libqmcwfs.so0.280.13
Loop 891 - inner_product.hpp:210-212 - libqmcwfs.so+0.280.13
Loop 892 - inner_product.hpp:211-212 - libqmcwfs.so0.280.13
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+libqmcwfs.so0.280.13
Loop 644 - TwoBodyJastrowRef.h:268-398 - libqmcwfs.so+0.250.1
Loop 645 - TwoBodyJastrowRef.h:268-398 - libqmcwfs.so+0.250.1
Loop 662 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.060.03
Loop 650 - TwoBodyJastrowRef.h:397-398 - libqmcwfs.so0.040.02
Loop 659 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.040.02
Loop 660 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.030.01
Loop 656 - TwoBodyJastrowRef.h:388-391 - libqmcwfs.so0.030.01
Loop 671 - stl_numeric.h:141-141 - libqmcwfs.so0.020.01
Loop 666 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.010
Loop 652 - TwoBodyJastrowRef.h:397-398 - libqmcwfs.so0.010
Loop 658 - TwoBodyJastrowRef.h:375-376 - libqmcwfs.so0.010
mkl_blas_def_dtrsm_ilibmkl_def.so.20.240.11
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.240.11
Loop 617 - TwoBodyJastrowRef.h:155-156 - libqmcwfs.so0.090.04
Loop 615 - TwoBodyJastrowRef.h:155-156 - libqmcwfs.so0.070.03
Loop 616 - TwoBodyJastrowRef.h:155-156 - libqmcwfs.so0.050.02
Loop 625 - stl_numeric.h:141-141 - libqmcwfs.so0.020.01
mkl_blas_def_dtrmml2x2_lunlibmkl_def.so.20.210.1
mkl_blas_def_dtrsml2x2_llnlibmkl_def.so.20.210.1
.omp_outlined..11+libqmcwfs.so0.20.09
Loop 97 - BsplineAllocator.hpp:172-180 - libqmcwfs.so+0.20.09
Loop 99 - BsplineAllocator.hpp:179-180 - libqmcwfs.so0.20.09
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+libqmcwfs.so0.180.08
Loop 894 - OhmmsMatrix.h:217-217 - libqmcwfs.so+0.180.08
Loop 895 - inner_product.hpp:155-155 - libqmcwfs.so0.170.08
Loop 896 - inner_product.hpp:82-83 - libqmcwfs.so0.010
qmcplusplus::TimerType::stop()+libqmcutil.so0.140.07
Loop 2 - NewTimer.h:119-121 - libqmcutil.so0.10.04
Loop 1 - NewTimer.h:119-121 - libqmcutil.so0.010
opal_progresslibopen-pal.so.80.0.00.140.07
.omp_outlined..64+exec0.120.06
Loop 37 - new_allocator.h:111-145 - exec+0.030.01
Loop 38 - NonLocalPP.hpp:122-135 - exec+0.030.01
Loop 39 - NonLocalPP.hpp:126-135 - exec+0.030.01
Loop 40 - NonLocalPP.hpp:131-132 - exec0.030.01
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+libqmcwfs.so0.120.05
Loop 7 - inner_product.hpp:82-83 - libqmcwfs.so+0.110.05
Loop 8 - inner_product.hpp:82-83 - libqmcwfs.so0.110.05
mkl_blas_def_dgemm_copyat_bdzlibmkl_def.so.20.10.05
epoll_waitlibc.so.60.10.04
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.10.04
Loop 905 - inner_product.hpp:155-155 - libqmcwfs.so0.050.02
Loop 904 - inner_product.hpp:82-83 - libqmcwfs.so0.020.01
unknown_function[vdso]0.10.04
mca_btl_sm_component_progresslibopen-pal.so.80.0.00.070.04
clock_nanosleeplibc.so.60.070.04
__clock_gettimelibc.so.60.070.03
qmcplusplus::Vector >::resize(unsigned long, double)+libqmcwfs.so0.060.03
Loop 209 - stl_algobase.h:923-924 - libqmcwfs.so0.060.03
qmcplusplus::TimerType::start()libqmcutil.so0.060.03
mkl_lapack_xdlaswplibmkl_core.so.20.060.03
f64xsubf128libm.so.60.050.02
mca_part_persist_progresslibmpi.so.40.40.00.040.02
mkl_blas_def_dgemm_mscalelibmkl_def.so.20.040.02
__kmp_api_omp_get_levellibomp.so0.040.02
usleeplibc.so.60.040.02
__cxxabiv1::__si_class_type_info::__do_dyncast(long, __cxxabiv1::__class_type_info::__sub_kind, __cxxabiv1::__class_type_info const*, void const*, __cxxabiv1::__class_type_info const*, void const*, __cxxabiv1::__class_type_info::__dyncast_result&) constlibstdc++.so.6.0.300.040.02
event_base_looplibevent_core-2.1.so.7.0.10.040.02
qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector)+libqmcwfs.so0.040.02
Loop 455 - stl_algobase.h:911-912 - libqmcwfs.so0.040.02
Loop 454 - stl_algobase.h:911-912 - libqmcwfs.so0.030.01
__tls_get_addrld-linux-x86-64.so.20.040.02
__cxxabiv1::__vmi_class_type_info::__do_dyncast(long, __cxxabiv1::__class_type_info::__sub_kind, __cxxabiv1::__class_type_info const*, void const*, __cxxabiv1::__class_type_info const*, void const*, __cxxabiv1::__class_type_info::__dyncast_result&) constlibstdc++.so.6.0.300.030.01
evsig_set_handler_libevent_core-2.1.so.7.0.10.030.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+libqmcwfs.so0.030.01
Loop 715 - OneBodyJastrowRef.h:109-194 - libqmcwfs.so+0.030
Loop 718 - OneBodyJastrowRef.h:192-193 - libqmcwfs.so0.010
Loop 719 - OneBodyJastrowRef.h:192-193 - libqmcwfs.so0.010
Loop 717 - OneBodyJastrowRef.h:192-193 - libqmcwfs.so0.010
mkl_lapack_dgetrilibmkl_core.so.20.020.01
mkl_blas_xdgemmlibmkl_core.so.20.020.01
mkl_serv_deallocatelibmkl_core.so.20.020.01
mkl_blas_def_xdswaplibmkl_def.so.20.020.01
__pthread_mutex_locklibc.so.60.020.01
__pthread_getspecificlibc.so.60.020.01
ompi_mpi_finalizelibmpi.so.40.40.00.020.01
qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool)libqmcparticle.so0.020.01
qmcplusplus::ParticleSet::update(bool)libqmcparticle.so0.020.01
qmcplusplus::ParticleSet::getDistTableAB(int) constlibqmcparticle.so0.020.01
void qmcplusplus::DelayedUpdate::acceptRow > >(qmcplusplus::Matrix >&, int, qmcplusplus::Vector > const&)+libqmcwfs.so0.020.01
Loop 883 - DelayedUpdate.h:147-148 - libqmcwfs.so0.010
Loop 887 - DelayedUpdate.h:137-138 - libqmcwfs.so0.010
qmcplusplus::RealSpacePositions::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)libqmcparticle.so0.020.01
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so0.020.01
_dl_rtld_di_serinfold-linux-x86-64.so.20.020.01
mkl_serv_check_ptr_and_warnlibmkl_sequential.so.20.010
mkl_serv_set_num_threads_locallibmkl_sequential.so.20.010
mkl_blas_xdgemvlibmkl_core.so.20.010
mkl_serv_lsamelibmkl_core.so.20.010
mkl_blas_errchk_dgemvlibmkl_intel_lp64.so.20.010
DGEMVlibmkl_intel_lp64.so.20.010
mkl_blas_def_xdaxpylibmkl_def.so.20.010
mkl_blas_def_xdgemm_bdzlibmkl_def.so.20.010
mkl_blas_def_xidamax_nonanlibmkl_def.so.20.010
mkl_blas_def_xdtrsmlibmkl_def.so.20.010
mkl_blas_def_dtrsm_l1libmkl_def.so.20.010
__dynamic_castlibstdc++.so.6.0.300.010
sm_add_procslibopen-pal.so.80.0.00.010
__kmp_get_global_thread_id_reglibomp.so0.010
__kmp_get_ancestor_thread_numlibomp.so0.010
timer_settimelibc.so.60.010
__libc_alloca_cutofflibc.so.60.010
evutil_gettime_monotonic_libevent_core-2.1.so.7.0.10.010
loglibm.so.60.010
event_assignlibevent_core-2.1.so.7.0.10.010
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)libqmcparticle_omptarget.so0.010
sincoslibm.so.60.010
evutil_getaddrinfo_async_libevent_core-2.1.so.7.0.10.010
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)libqmcparticle.so0.010
qmcplusplus::ParticleSet::getDistTableAA(int) constlibqmcparticle.so0.010
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)libqmcwfs.so0.010
qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.010
Loop 741 - WaveFunction.cpp:225-228 - libqmcwfs.so0.010
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)libqmcwfs.so0.010
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+libqmcwfs.so0.010
Loop 731 - OneBodyJastrowRef.h:134-155 - libqmcwfs.so+0.010
Loop 733 - OneBodyJastrowRef.h:143-146 - libqmcwfs.so0.010
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.010
Loop 683 - OneBodyJastrowRef.h:192-193 - libqmcwfs.so0.010
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so0.010
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constlibqmcparticle.so0.010
qmcplusplus::build_ions(qmcplusplus::Tensor const&, bool)libqmcparticle.so0.010
qmcplusplus::TimerManager >::push_timer(qmcplusplus::TimerType*)libqmcutil.so0.010
qmcplusplus::Vector > >::resize(unsigned long, double)+libqmcparticle_omptarget.so0.010
Loop 79 - stl_algobase.h:923-924 - libqmcparticle_omptarget.so0.010
_dl_deallocate_tlsld-linux-x86-64.so.20.010
.text@startlibevent_pthreads-2.1.so.7.0.10.010
.plt.sec@startlibevent_core-2.1.so.7.0.10.010
.plt.sec@startlibevent_pthreads-2.1.so.7.0.10.010
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