options

Profiling MPI #7.18 - node gmz10.benchmarkcenter.megware.com - process 456256 - thread 456577

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec25.1841.67
Loop 933 - MultiBsplineRef.hpp:42-71 - exec+25.1541.61
Loop 934 - MultiBsplineRef.hpp:63-71 - exec+25.1541.61
Loop 935 - MultiBsplineRef.hpp:64-71 - exec+25.1541.61
Loop 936 - MultiBsplineRef.hpp:68-71 - exec25.1541.61
mkl_blas_def_dgemm_pstlibmkl_def.so.217.5329.00
mkl_blas_def_dgemm_kernel_zenlibmkl_def.so.217.4228.82
mkl_blas_def_dgemm_copybn_bdzlibmkl_def.so.211.8419.58
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec10.0316.59
Loop 939 - MultiBsplineRef.hpp:187-286 - exec+9.5915.87
Loop 942 - MultiBsplineRef.hpp:226-262 - exec+9.5215.76
Loop 943 - MultiBsplineRef.hpp:227-262 - exec+9.5215.76
Loop 945 - MultiBsplineRef.hpp:242-262 - exec9.5215.76
Loop 941 - MultiBsplineRef.hpp:276-286 - exec0.070.11
Loop 937 - einspline_spo_ref.hpp:219-227 - exec+0.410.68
Loop 938 - einspline_spo_ref.hpp:223-227 - exec0.410.68
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec3.886.41
Loop 2371 - SoaDistanceTableABOMPTarget.h:214-228 - exec+3.876.39
Loop 2372 - SoaDistanceTableABOMPTarget.h:215-228 - exec+3.876.39
Loop 2373 - SoaDistanceTableABOMPTarget.h:222-228 - exec3.876.39
Loop 2374 - SoaDistanceTableABOMPTarget.h:194-196 - exec0.000.00
__libm_round_y8exec2.694.44
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec1.833.03
Loop 2155 - SoaDistanceTableAAOMPTarget.h:440-442 - exec1.833.03
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.131.87
Loop 1504 - ParticleBConds3DSoa.h:234-255 - exec1.131.87
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.041.72
Loop 456 - TwoBodyJastrowRef.h:107-132 - exec+1.021.69
Loop 457 - BsplineFunctor.h:236-260 - exec+1.021.69
Loop 461 - BsplineFunctor.h:236-241 - exec0.991.63
Loop 459 - BsplineFunctor.h:246-260 - exec0.030.06
mkl_blas_def_xdgemvlibmkl_def.so.20.981.62
mkl_blas_def_dgemm_copyan_bdzlibmkl_def.so.20.911.51
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.771.28
Loop 425 - TwoBodyJastrowRef.h:342-347 - exec0.220.36
Loop 423 - TwoBodyJastrowRef.h:342-347 - exec0.210.34
Loop 427 - TwoBodyJastrowRef.h:342-347 - exec0.180.29
Loop 430 - TwoBodyJastrowRef.h:324-331 - exec0.170.27
Loop 432 - TwoBodyJastrowRef.h:269-274 - exec0.000.00
bool _INTERNAL021345c1::__kmp_wait_template, true, false, true>(kmp_info*, kmp_flag_64*, void*)libiomp5.so0.761.26
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.590.97
Loop 1053 - inner_product.hpp:82-155 - exec+0.580.96
Loop 1054 - inner_product.hpp:155-155 - exec0.370.60
Loop 1057 - inner_product.hpp:82-83 - exec0.220.36
__memcpy_avx512_unaligned_ermslibc.so.60.360.60
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.340.55
Loop 1043 - inner_product.hpp:155-155 - exec0.330.55
__intel_avx_rep_memset+exec0.320.53
Loop 2605 - - exec0.010.01
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.300.50
Loop 401 - BsplineFunctor.h:291-298 - exec0.260.42
Loop 399 - BsplineFunctor.h:302-336 - exec0.030.05
Loop 398 - BsplineFunctor.h:303-336 - exec0.000.00
roundexec0.250.41
_INTERNAL021345c1::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*)libiomp5.so0.240.40
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.140.23
Loop 419 - TwoBodyJastrowRef.h:155-156 - exec0.060.10
Loop 417 - TwoBodyJastrowRef.h:155-156 - exec0.040.07
Loop 418 - TwoBodyJastrowRef.h:155-156 - exec0.020.04
Loop 420 - stl_numeric.h:140-141 - exec0.010.01
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.140.22
Loop 1024 - inner_product.hpp:210-212 - exec+0.140.22
Loop 1025 - inner_product.hpp:211-212 - exec0.140.22
mkl_blas_def_dtrsm_ilibmkl_def.so.20.130.21
mkl_blas_def_dgemm_mscalelibmkl_def.so.20.110.17
unknown_kernel_regionkernel0.110.17
__intel_avx_rep_memcpyexec0.090.15
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.090.15
Loop 1037 - inner_product.hpp:82-155 - exec+0.090.15
Loop 1038 - inner_product.hpp:155-155 - exec0.070.11
Loop 1040 - inner_product.hpp:82-83 - exec0.030.04
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.080.13
Loop 946 - inner_product.hpp:82-83 - exec+0.080.13
Loop 948 - inner_product.hpp:82-83 - exec0.080.13
mkl_blas_def_dgemm_copyat_bdzlibmkl_def.so.20.080.12
mkl_blas_def_dtrsml2x2_llnlibmkl_def.so.20.070.11
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.070.11
Loop 436 - TwoBodyJastrowRef.h:268-420 - exec+0.070.11
Loop 449 - TwoBodyJastrowRef.h:381-382 - exec0.020.04
Loop 451 - TwoBodyJastrowRef.h:381-382 - exec0.010.02
Loop 453 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 455 - TwoBodyJastrowRef.h:375-376 - exec0.010.01
Loop 447 - TwoBodyJastrowRef.h:388-420 - exec0.010.01
Loop 443 - TwoBodyJastrowRef.h:397-398 - exec0.000.00
Loop 445 - TwoBodyJastrowRef.h:397-398 - exec0.000.00
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.060.10
Loop 1044 - inner_product.hpp:155-155 - exec0.040.06
Loop 1047 - inner_product.hpp:82-83 - exec0.020.03
mkl_blas_def_dtrmml2x2_lunlibmkl_def.so.20.050.09
mkl_lapack_xdlaswplibmkl_core.so.20.040.06
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.040.06
Loop 340 - OneBodyJastrowRef.h:192-193 - exec0.020.02
Loop 345 - OneBodyJastrowRef.h:186-187 - exec0.010.02
Loop 342 - OneBodyJastrowRef.h:192-193 - exec0.010.01
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.030.06
Loop 101 - NonLocalPP.hpp:122-135 - exec+0.000.00
Loop 102 - NonLocalPP.hpp:126-135 - exec+0.000.00
Loop 103 - NonLocalPP.hpp:131-132 - exec0.000.00
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.030.05
Loop 1065 - stl_algobase.h:911-912 - exec0.030.05
mkl_blas_def_xdswaplibmkl_def.so.20.030.05
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.030.04
Loop 385 - stl_algobase.h:923-924 - exec0.030.04
__tls_get_addrld-linux-x86-64.so.20.020.03
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.020.03
Loop 376 - OneBodyJastrowRef.h:134-155 - exec+0.010.02
Loop 378 - OneBodyJastrowRef.h:134-146 - exec+0.010.02
Loop 382 - BsplineFunctor.h:236-241 - exec0.010.01
Loop 379 - BsplineFunctor.h:246-260 - exec0.000.00
Loop 380 - BsplineFunctor.h:246-260 - exec0.000.00
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.020.02
Loop 364 - OneBodyJastrowRef.h:109-194 - exec+0.020.02
Loop 371 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 370 - OneBodyJastrowRef.h:192-193 - exec0.000.00
Loop 372 - OneBodyJastrowRef.h:192-193 - exec0.000.00
qmcplusplus::TimerType::start()exec0.010.02
main.extracted.107exec0.010.02
__kmp_api_omp_get_levellibiomp5.so0.010.01
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