options

Profiling node ip-172-31-68-94 - process 509978 - thread 509978

NameModuleCoverage (%)Time (s)
mkl_blas_def_dgemm_kernel_zenlibmkl_def.so.228.0112.67
mkl_blas_def_dgemm_pstlibmkl_def.so.221.249.61
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+libqmcwfs.so13.696.2
Loop 821 - MultiBsplineRef.hpp:42-71 - libqmcwfs.so+13.676.18
Loop 822 - MultiBsplineRef.hpp:63-71 - libqmcwfs.so+13.676.18
Loop 826 - MultiBsplineRef.hpp:68-70 - libqmcwfs.so3.611.63
Loop 823 - MultiBsplineRef.hpp:68-70 - libqmcwfs.so3.461.57
Loop 824 - MultiBsplineRef.hpp:68-70 - libqmcwfs.so3.371.52
Loop 825 - MultiBsplineRef.hpp:68-70 - libqmcwfs.so3.231.46
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+libqmcwfs.so13.326.02
Loop 837 - MultiBsplineRef.hpp:187-286 - libqmcwfs.so+12.455.63
Loop 841 - MultiBsplineRef.hpp:226-262 - libqmcwfs.so+11.965.41
Loop 842 - MultiBsplineRef.hpp:227-262 - libqmcwfs.so+11.965.41
Loop 844 - MultiBsplineRef.hpp:242-262 - libqmcwfs.so11.965.41
Loop 839 - MultiBsplineRef.hpp:276-286 - libqmcwfs.so0.490.22
Loop 835 - einspline_spo_ref.hpp:219-227 - libqmcwfs.so+0.860.39
Loop 836 - einspline_spo_ref.hpp:223-227 - libqmcwfs.so0.860.39
mkl_blas_def_dgemm_copybn_bdzlibmkl_def.so.27.063.2
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+libqmcparticle_omptarget.so2.331.06
Loop 204 - SoaDistanceTableAAOMPTarget.h:440-442 - libqmcparticle_omptarget.so2.331.06
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+libqmcparticle_omptarget.so2.221
Loop 453 - SoaDistanceTableABOMPTarget.h:214-228 - libqmcparticle_omptarget.so+2.231
Loop 454 - SoaDistanceTableABOMPTarget.h:215-228 - libqmcparticle_omptarget.so+2.231
Loop 456 - ParticleBConds3DSoa.h:280-298 - libqmcparticle_omptarget.so2.170.98
Loop 455 - SoaDistanceTableABOMPTarget.h:228-228 - libqmcparticle_omptarget.so0.060.02
mkl_blas_def_dgemm_copyan_bdzlibmkl_def.so.21.930.88
qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const+libqmcwfs.so1.380.63
Loop 449 - BsplineFunctor.h:236-241 - libqmcwfs.so1.290.58
Loop 447 - BsplineFunctor.h:246-260 - libqmcwfs.so0.070.03
Loop 448 - BsplineFunctor.h:246-260 - libqmcwfs.so0.010.01
mkl_blas_def_xdgemvlibmkl_def.so.21.340.61
__nss_database_lookuplibc.so.61.080.49
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+libqmcparticle_omptarget.so0.880.4
Loop 219 - ParticleBConds3DSoa.h:234-255 - libqmcparticle_omptarget.so0.880.4
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+libqmcwfs.so0.640.29
Loop 450 - BsplineFunctor.h:302-336 - libqmcwfs.so0.10.04
Loop 453 - BsplineFunctor.h:291-298 - libqmcwfs.so0.020.01
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.610.28
Loop 633 - TwoBodyJastrowRef.h:342-347 - libqmcwfs.so0.240.11
Loop 631 - TwoBodyJastrowRef.h:342-347 - libqmcwfs.so0.140.06
Loop 638 - TwoBodyJastrowRef.h:324-331 - libqmcwfs.so0.110.05
Loop 635 - TwoBodyJastrowRef.h:342-347 - libqmcwfs.so0.10.04
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+libqmcwfs.so0.590.27
Loop 913 - OhmmsVector.h:223-223 - libqmcwfs.so+0.590.26
Loop 915 - inner_product.hpp:155-155 - libqmcwfs.so0.380.17
Loop 914 - inner_product.hpp:82-83 - libqmcwfs.so0.210.09
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+libqmcwfs.so0.410.19
Loop 901 - inner_product.hpp:155-155 - libqmcwfs.so0.410.19
mkl_blas_def_dtrsm_ilibmkl_def.so.20.360.17
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+libqmcwfs.so0.330.15
Loop 891 - inner_product.hpp:210-212 - libqmcwfs.so+0.330.15
Loop 892 - inner_product.hpp:211-212 - libqmcwfs.so0.330.15
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.320.14
Loop 616 - TwoBodyJastrowRef.h:155-156 - libqmcwfs.so0.130.06
Loop 615 - TwoBodyJastrowRef.h:155-156 - libqmcwfs.so0.090.04
Loop 617 - TwoBodyJastrowRef.h:155-156 - libqmcwfs.so0.070.03
Loop 625 - stl_numeric.h:141-141 - libqmcwfs.so0.020.01
.omp_outlined..11+libqmcwfs.so0.240.11
Loop 97 - BsplineAllocator.hpp:172-180 - libqmcwfs.so+0.230.1
Loop 99 - BsplineAllocator.hpp:179-180 - libqmcwfs.so0.230.1
mkl_blas_def_dtrsml2x2_llnlibmkl_def.so.20.230.11
mkl_blas_def_dtrmml2x2_lunlibmkl_def.so.20.190.09
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+libqmcwfs.so0.130.06
Loop 644 - TwoBodyJastrowRef.h:268-398 - libqmcwfs.so+0.120.08
Loop 645 - TwoBodyJastrowRef.h:268-398 - libqmcwfs.so+0.120.08
Loop 659 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.030.02
Loop 660 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.030.02
Loop 652 - TwoBodyJastrowRef.h:397-398 - libqmcwfs.so0.020.01
Loop 658 - TwoBodyJastrowRef.h:375-376 - libqmcwfs.so0.020.01
Loop 656 - TwoBodyJastrowRef.h:388-391 - libqmcwfs.so0.010.01
Loop 662 - TwoBodyJastrowRef.h:381-382 - libqmcwfs.so0.010.01
qmcplusplus::TimerType::stop()+libqmcutil.so0.110.05
Loop 2 - NewTimer.h:119-121 - libqmcutil.so0.030.02
Loop 1 - NewTimer.h:119-121 - libqmcutil.so0.030.02
Loop 3 - NewTimer.cpp:99-100 - libqmcutil.so0.010.01
.omp_outlined..64+exec0.10.05
Loop 37 - new_allocator.h:111-145 - exec+0.010.01
Loop 42 - miniqmc.cpp:425-461 - exec+0.010.01
Loop 43 - miniqmc.cpp:429-458 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+libqmcwfs.so0.10.05
Loop 894 - OhmmsMatrix.h:217-217 - libqmcwfs.so+0.10.05
Loop 895 - inner_product.hpp:155-155 - libqmcwfs.so0.070.03
Loop 896 - inner_product.hpp:82-83 - libqmcwfs.so0.030.02
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+libqmcwfs.so0.10.05
Loop 7 - inner_product.hpp:82-83 - libqmcwfs.so+0.10.05
Loop 8 - inner_product.hpp:82-83 - libqmcwfs.so0.10.05
mkl_lapack_xdlaswplibmkl_core.so.20.090.04
mkl_blas_def_dgemm_mscalelibmkl_def.so.20.070.03
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.060.02
Loop 905 - inner_product.hpp:155-155 - libqmcwfs.so0.040.02
Loop 904 - inner_product.hpp:82-83 - libqmcwfs.so0.010.01
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+libqmcwfs.so0.060.02
Loop 681 - OneBodyJastrowRef.h:192-193 - libqmcwfs.so0.020.01
Loop 683 - OneBodyJastrowRef.h:192-193 - libqmcwfs.so0.010.01
Loop 678 - stl_numeric.h:141-141 - libqmcwfs.so0.010.01
qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector)+libqmcwfs.so0.060.02
Loop 455 - stl_algobase.h:911-912 - libqmcwfs.so0.060.02
Loop 454 - stl_algobase.h:911-912 - libqmcwfs.so0.030.02
__kmp_api_omp_get_levellibomp.so0.040.02
__clock_gettimelibc.so.60.040.02
f64xsubf128libm.so.60.040.02
mkl_blas_def_dgemm_copyat_bdzlibmkl_def.so.20.030.02
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so0.030.02
qmcplusplus::Vector >::resize(unsigned long, double)+libqmcwfs.so0.030.02
Loop 209 - stl_algobase.h:923-924 - libqmcwfs.so0.030.02
mkl_lapack_dgetrilibmkl_core.so.20.020.01
mkl_blas_def_xdswaplibmkl_def.so.20.020.01
__dynamic_castlibstdc++.so.6.0.300.020.01
explibm.so.60.020.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)libqmcparticle_omptarget.so0.020.01
qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)libqmcparticle.so0.020.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)libqmcwfs.so0.020.01
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)libqmcwfs.so0.020.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+libqmcwfs.so0.020.01
Loop 715 - OneBodyJastrowRef.h:109-194 - libqmcwfs.so+0.020.02
Loop 718 - OneBodyJastrowRef.h:192-193 - libqmcwfs.so0.010.01
Loop 717 - OneBodyJastrowRef.h:192-193 - libqmcwfs.so0.010.01
qmcplusplus::TimerManager >::push_timer(qmcplusplus::TimerType*)libqmcutil.so0.020.01
_dl_deallocate_tlsld-linux-x86-64.so.20.020.01
qmcplusplus::TimerType::start()libqmcutil.so0.020.01
unknown_function[vdso]0.020.01
mkl_blas_xdgemvlibmkl_core.so.20.010.01
mkl_serv_verbose_modelibmkl_core.so.20.010.01
mkl_blas_errchk_dgemvlibmkl_intel_lp64.so.20.010.01
mkl_blas_def_xdscallibmkl_def.so.20.010.01
mkl_blas_def_xidamaxlibmkl_def.so.20.010.01
mkl_blas_def_dgemm_blk_info_bdzlibmkl_def.so.20.010.01
.plt.sec@startlibstdc++.so.6.0.300.010.01
__kmp_get_ancestor_thread_num.part.60libomp.so0.010.01
__libc_malloclibc.so.60.010.01
__pthread_getspecificlibc.so.60.010.01
ompi_op_destructlibmpi.so.40.40.00.010.01
qmcplusplus::ParticleSet::update(bool)libqmcparticle.so0.010.01
qmcplusplus::ParticleSet::getDistTableAB(int) constlibqmcparticle.so0.010.01
qmcplusplus::RealSpacePositions::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)libqmcparticle.so0.010.01
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)libqmcwfs.so0.010.01
qmcplusplus::build_ions(qmcplusplus::Tensor const&, bool)libqmcparticle.so0.010.01
qmcplusplus::TimerManager >::pop_timer(qmcplusplus::TimerType*)libqmcutil.so0.010.01
_dl_mcountld-linux-x86-64.so.20.010.01
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