options

Profiling MPI #7.27 - node gmz10.benchmarkcenter.megware.com - process 456256 - thread 456713

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec24.4240.60
Loop 933 - MultiBsplineRef.hpp:42-71 - exec+24.4140.58
Loop 934 - MultiBsplineRef.hpp:63-71 - exec+24.4140.58
Loop 935 - MultiBsplineRef.hpp:64-71 - exec+24.4140.58
Loop 936 - MultiBsplineRef.hpp:68-71 - exec24.4140.58
mkl_blas_def_dgemm_kernel_zenlibmkl_def.so.217.8029.58
mkl_blas_def_dgemm_pstlibmkl_def.so.217.3128.78
mkl_blas_def_dgemm_copybn_bdzlibmkl_def.so.211.6919.44
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec10.2517.05
Loop 939 - MultiBsplineRef.hpp:187-286 - exec+9.7616.22
Loop 942 - MultiBsplineRef.hpp:226-262 - exec+9.6916.11
Loop 943 - MultiBsplineRef.hpp:227-262 - exec+9.6916.11
Loop 945 - MultiBsplineRef.hpp:242-262 - exec9.6916.11
Loop 941 - MultiBsplineRef.hpp:276-286 - exec0.070.11
Loop 937 - einspline_spo_ref.hpp:219-227 - exec+0.480.80
Loop 938 - einspline_spo_ref.hpp:223-227 - exec0.480.80
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec4.347.22
Loop 2371 - SoaDistanceTableABOMPTarget.h:214-228 - exec+4.337.21
Loop 2372 - SoaDistanceTableABOMPTarget.h:215-228 - exec+4.337.21
Loop 2373 - SoaDistanceTableABOMPTarget.h:222-228 - exec4.337.21
__libm_round_y8exec2.684.45
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec1.833.05
Loop 2155 - SoaDistanceTableAAOMPTarget.h:440-442 - exec1.833.05
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.141.90
Loop 456 - TwoBodyJastrowRef.h:107-132 - exec+1.131.88
Loop 457 - BsplineFunctor.h:236-260 - exec+1.131.88
Loop 461 - BsplineFunctor.h:236-241 - exec1.081.80
Loop 459 - BsplineFunctor.h:246-260 - exec0.050.07
mkl_blas_def_xdgemvlibmkl_def.so.21.121.87
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.061.77
Loop 1504 - ParticleBConds3DSoa.h:234-255 - exec1.061.76
mkl_blas_def_dgemm_copyan_bdzlibmkl_def.so.20.981.63
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.831.38
Loop 430 - TwoBodyJastrowRef.h:324-331 - exec0.240.39
Loop 425 - TwoBodyJastrowRef.h:342-347 - exec0.210.35
Loop 423 - TwoBodyJastrowRef.h:342-347 - exec0.210.35
Loop 427 - TwoBodyJastrowRef.h:342-347 - exec0.160.27
bool _INTERNAL021345c1::__kmp_wait_template, true, false, true>(kmp_info*, kmp_flag_64*, void*)libiomp5.so0.701.16
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.621.03
Loop 1053 - inner_product.hpp:82-155 - exec+0.621.03
Loop 1054 - inner_product.hpp:155-155 - exec0.380.63
Loop 1057 - inner_product.hpp:82-83 - exec0.240.40
__memcpy_avx512_unaligned_ermslibc.so.60.450.75
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.350.58
Loop 1043 - inner_product.hpp:155-155 - exec0.350.58
__intel_avx_rep_memset+exec0.310.52
Loop 2605 - - exec0.010.01
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.230.38
Loop 401 - BsplineFunctor.h:291-298 - exec0.190.32
Loop 399 - BsplineFunctor.h:302-336 - exec0.030.05
roundexec0.200.33
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.160.26
Loop 419 - TwoBodyJastrowRef.h:155-156 - exec0.060.09
Loop 417 - TwoBodyJastrowRef.h:155-156 - exec0.050.07
Loop 418 - TwoBodyJastrowRef.h:155-156 - exec0.040.07
Loop 420 - stl_numeric.h:140-141 - exec0.020.03
mkl_blas_def_dgemm_mscalelibmkl_def.so.20.140.22
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.130.21
Loop 1024 - inner_product.hpp:210-212 - exec+0.130.21
Loop 1025 - inner_product.hpp:211-212 - exec0.130.21
__intel_avx_rep_memcpyexec0.120.19
mkl_blas_def_dtrsm_ilibmkl_def.so.20.100.16
unknown_kernel_regionkernel0.100.16
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.100.16
Loop 946 - inner_product.hpp:82-83 - exec+0.090.16
Loop 948 - inner_product.hpp:82-83 - exec0.090.16
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.080.14
Loop 1037 - inner_product.hpp:82-155 - exec+0.080.14
Loop 1038 - inner_product.hpp:155-155 - exec0.060.10
Loop 1040 - inner_product.hpp:82-83 - exec0.020.04
mkl_blas_def_dgemm_copyat_bdzlibmkl_def.so.20.080.12
mkl_blas_def_dtrmml2x2_lunlibmkl_def.so.20.070.12
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.070.11
Loop 1044 - inner_product.hpp:155-155 - exec0.040.06
Loop 1047 - inner_product.hpp:82-83 - exec0.030.04
mkl_blas_def_dtrsml2x2_llnlibmkl_def.so.20.050.09
mkl_lapack_xdlaswplibmkl_core.so.20.050.07
mkl_blas_def_xdswaplibmkl_def.so.20.040.07
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.040.07
Loop 436 - TwoBodyJastrowRef.h:268-420 - exec+0.040.06
Loop 449 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 443 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
Loop 445 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
Loop 455 - TwoBodyJastrowRef.h:375-376 - exec0.010.01
Loop 453 - TwoBodyJastrowRef.h:381-382 - exec0.000.01
Loop 444 - TwoBodyJastrowRef.h:397-398 - exec0.000.01
Loop 451 - TwoBodyJastrowRef.h:381-382 - exec0.000.01
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.040.06
Loop 341 - OneBodyJastrowRef.h:192-193 - exec0.010.02
Loop 345 - OneBodyJastrowRef.h:186-187 - exec0.010.02
Loop 340 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 342 - OneBodyJastrowRef.h:192-193 - exec0.010.01
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.040.06
Loop 101 - NonLocalPP.hpp:122-135 - exec+0.010.01
Loop 102 - NonLocalPP.hpp:126-135 - exec+0.010.01
Loop 103 - NonLocalPP.hpp:131-132 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.040.06
Loop 1065 - stl_algobase.h:911-912 - exec0.040.06
__kmp_acquire_ticket_locklibiomp5.so0.020.04
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.04
Loop 385 - stl_algobase.h:923-924 - exec0.020.04
qmcplusplus::TimerType::stop()exec0.020.04
__kmp_api_omp_get_levellibiomp5.so0.020.03
mkl_blas_def_xdaxpylibmkl_def.so.20.020.03
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)exec0.010.02
qmcplusplus::TimerType::start()exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.010.01
Loop 364 - OneBodyJastrowRef.h:109-194 - exec+0.010.02
Loop 370 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 375 - OneBodyJastrowRef.h:186-187 - exec0.000.01
kmp_flag_native::notdone_check()libiomp5.so0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.000.01
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