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Profiling node ip-172-31-68-94 - process 426073 - thread 426498

NameModuleCoverage (%)Time (s)
void miniqmcreference::MultiBsplineEvalRef::evaluate_v(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, unsigned long)+exec26.1548.63
Loop 844 - MultiBsplineRef.hpp:63-71 - exec+26.148.54
Loop 843 - MultiBsplineRef.hpp:68-70 - exec6.6712.41
Loop 840 - MultiBsplineRef.hpp:68-70 - exec6.6212.31
Loop 841 - MultiBsplineRef.hpp:68-70 - exec6.4512
Loop 842 - MultiBsplineRef.hpp:68-70 - exec6.3611.82
mkl_blas_def_dgemm_pstlibmkl_def.so.225.7147.81
mkl_blas_def_dgemm_kernel_zenlibmkl_def.so.215.9729.71
mkl_blas_def_dgemm_copybn_bdzlibmkl_def.so.28.3615.54
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+exec7.7514.41
Loop 857 - MultiBsplineRef.hpp:226-262 - exec+7.6214.17
Loop 858 - MultiBsplineRef.hpp:226-262 - exec+7.6214.17
Loop 860 - MultiBsplineRef.hpp:242-262 - exec7.6214.17
Loop 855 - MultiBsplineRef.hpp:276-286 - exec0.120.22
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec4.247.88
Loop 2033 - SoaDistanceTableABOMPTarget.h:214-228 - exec+4.237.86
Loop 2034 - SoaDistanceTableABOMPTarget.h:215-228 - exec+4.237.86
Loop 2036 - ParticleBConds3DSoa.h:280-298 - exec4.237.86
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec1.923.57
Loop 1791 - SoaDistanceTableAAOMPTarget.h:440-442 - exec1.923.57
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.633.04
Loop 322 - TwoBodyJastrowRef.h:107-132 - exec+1.552.88
Loop 323 - BsplineFunctor.h:236-260 - exec+1.552.88
Loop 326 - BsplineFunctor.h:236-241 - exec1.522.82
Loop 324 - BsplineFunctor.h:246-260 - exec0.030.06
__nss_database_lookuplibc.so.61.192.21
mkl_blas_def_dgemm_copyan_bdzlibmkl_def.so.20.851.58
__kmp_hardware_timestamplibomp.so0.631.17
mkl_blas_def_xdgemvlibmkl_def.so.20.561.04
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec0.530.98
Loop 1310 - ParticleBConds3DSoa.h:234-255 - exec0.530.98
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.450.83
Loop 1060 - inner_product.hpp:82-155 - exec+0.450.83
Loop 1059 - inner_product.hpp:155-155 - exec0.30.55
Loop 1058 - inner_product.hpp:82-83 - exec0.150.28
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.450.83
Loop 311 - TwoBodyJastrowRef.h:342-347 - exec0.140.25
Loop 316 - TwoBodyJastrowRef.h:324-331 - exec0.10.19
Loop 313 - TwoBodyJastrowRef.h:342-347 - exec0.10.18
Loop 309 - TwoBodyJastrowRef.h:342-347 - exec0.10.19
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec0.440.82
Loop 830 - einspline_spo_ref.hpp:219-227 - exec+0.440.82
Loop 831 - einspline_spo_ref.hpp:223-227 - exec0.440.82
__kmp_hyper_barrier_release(barrier_type, kmp_info*, int, int, int, void*)libomp.so0.370.68
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.310.58
Loop 1045 - inner_product.hpp:155-155 - exec0.310.57
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.30.56
Loop 832 - inner_product.hpp:82-83 - exec+0.290.54
Loop 833 - inner_product.hpp:82-83 - exec0.290.54
__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*)libomp.so0.290.54
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.280.52
Loop 265 - BsplineFunctor.h:291-298 - exec0.250.47
Loop 262 - BsplineFunctor.h:302-336 - exec0.010.02
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.220.4
Loop 1022 - inner_product.hpp:210-212 - exec+0.220.4
Loop 1023 - inner_product.hpp:211-212 - exec0.220.4
mkl_blas_def_dtrsm_ilibmkl_def.so.20.130.25
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.120.22
Loop 293 - TwoBodyJastrowRef.h:155-156 - exec0.050.09
Loop 294 - TwoBodyJastrowRef.h:155-156 - exec0.030.06
Loop 295 - TwoBodyJastrowRef.h:155-156 - exec0.020.04
Loop 303 - stl_numeric.h:141-141 - exec0.010.02
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.10.18
Loop 227 - OneBodyJastrowRef.h:134-155 - exec+0.060.12
Loop 229 - BsplineFunctor.h:233-260 - exec+0.060.12
Loop 232 - BsplineFunctor.h:236-241 - exec0.060.12
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.090.17
Loop 62 - NonLocalPP.hpp:122-135 - exec+0.010.01
Loop 63 - NonLocalPP.hpp:126-135 - exec+0.010.01
Loop 64 - NonLocalPP.hpp:131-132 - exec0.010.01
mkl_blas_def_dtrmml2x2_lunlibmkl_def.so.20.090.16
mkl_blas_def_dgemm_copyat_bdzlibmkl_def.so.20.070.13
mkl_blas_def_dtrsml2x2_llnlibmkl_def.so.20.060.12
mkl_blas_def_dgemm_mscalelibmkl_def.so.20.060.11
__kmp_api_omp_get_levellibomp.so0.050.09
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.050.09
Loop 1049 - inner_product.hpp:155-155 - exec0.020.03
Loop 1048 - inner_product.hpp:82-83 - exec0.020.04
miniqmcreference::einspline_spo_ref::evaluate_v(qmcplusplus::ParticleSet const&, int)+exec0.050.08
Loop 839 - einspline_spo_ref.hpp:175-176 - exec0.020.04
miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)+exec0.050.08
Loop 328 - TwoBodyJastrowRef.h:268-398 - exec+0.060.07
Loop 329 - TwoBodyJastrowRef.h:268-398 - exec+0.060.07
Loop 345 - TwoBodyJastrowRef.h:381-382 - exec0.020.03
Loop 343 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 344 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 340 - TwoBodyJastrowRef.h:388-391 - exec0.010.01
Loop 342 - TwoBodyJastrowRef.h:375-376 - exec0.010.01
mkl_lapack_xdlaswplibmkl_core.so.20.040.08
f64xsubf128libm.so.60.040.07
qmcplusplus::TimerType::start()exec0.030.05
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.030.05
Loop 1040 - inner_product.hpp:82-155 - exec+0.030.05
Loop 1038 - inner_product.hpp:155-155 - exec0.030.05
qmcplusplus::ParticleSet::update(bool)+exec0.020.04
Loop 1143 - ParticleSet.cpp:242-243 - exec0.020.03
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec0.020.04
Loop 829 - einspline_spo_ref.hpp:183-187 - exec0.010.02
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.020.03
__libc_malloclibc.so.60.020.03
mkl_blas_def_xdgemm_bdzlibmkl_def.so.20.020.03
__tls_get_addrld-linux-x86-64.so.20.020.03
_dl_deallocate_tlsld-linux-x86-64.so.20.020.03
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.02
mkl_blas_def_xdswaplibmkl_def.so.20.010.02
__sched_yieldlibc.so.60.010.02
__kmp_get_global_thread_id_reglibomp.so0.010.02
__libc_freelibc.so.60.010.02
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.02
__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.6.0.300.010.01
qmcplusplus::TimerType::stop()exec0.010.01
qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)exec0.010.01
qmcplusplus::RealSpacePositionsOMPTarget::setOneParticlePos(qmcplusplus::TinyVector const&, unsigned long)exec0.010.01
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
miniqmcreference::einspline_spo_ref::evaluate_vgh(qmcplusplus::ParticleSet const&, int)exec0.010.01
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
qmcplusplus::Vector, std::allocator > >::resize(unsigned long, qmcplusplus::TinyVector)+exec0.010.01
Loop 241 - stl_algobase.h:911-912 - exec0.010.01
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.010.01
Loop 237 - stl_algobase.h:924-924 - exec0.010.01
mkl_lapack_dgetrilibmkl_core.so.20.010.01
mkl_blas_def_xdaxpylibmkl_def.so.20.010.01
mkl_blas_def_xdtrsmlibmkl_def.so.20.010.01
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constexec0.010.01
miniqmcreference::OneBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)exec0.010.01
__dynamic_castlibstdc++.so.6.0.3000
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