options

Profiling node o405 - process 100575 - thread 100592

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec25.6128.66
Loop 870 - MultiBsplineRef.hpp:42-71 - exec+25.5728.63
Loop 871 - MultiBsplineRef.hpp:63-71 - exec+25.5728.63
Loop 872 - MultiBsplineRef.hpp:64-71 - exec+25.5728.63
Loop 873 - MultiBsplineRef.hpp:68-70 - exec25.5728.63
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.215.116.91
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.213.8715.53
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec13.4915.1
Loop 876 - MultiBsplineRef.hpp:187-286 - exec+12.5114.01
Loop 878 - MultiBsplineRef.hpp:226-262 - exec+12.0313.47
Loop 879 - MultiBsplineRef.hpp:227-262 - exec+12.0313.47
Loop 880 - MultiBsplineRef.hpp:242-262 - exec12.0313.47
Loop 877 - MultiBsplineRef.hpp:276-286 - exec0.480.54
Loop 874 - einspline_spo_ref.hpp:219-227 - exec+0.931.04
Loop 875 - einspline_spo_ref.hpp:223-227 - exec0.931.04
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec7.558.45
Loop 2088 - SoaDistanceTableABOMPTarget.h:214-228 - exec+7.548.44
Loop 2089 - SoaDistanceTableABOMPTarget.h:215-228 - exec+7.548.44
Loop 2090 - SoaDistanceTableABOMPTarget.h:228-228 - exec7.548.44
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec6.487.26
Loop 1864 - SoaDistanceTableAAOMPTarget.h:440-442 - exec6.487.25
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec2.012.25
Loop 1370 - ParticleBConds3DSoa.h:235-256 - exec2.012.25
__intel_avx_rep_memset+exec1.82.02
Loop 2345 - - exec1.041.16
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.661.86
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.461.64
Loop 389 - TwoBodyJastrowRef.h:107-132 - exec+1.441.62
Loop 390 - BsplineFunctor.h:229-260 - exec+1.441.62
Loop 393 - BsplineFunctor.h:236-241 - exec1.361.53
Loop 391 - BsplineFunctor.h:246-260 - exec0.080.09
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.261.4
Loop 359 - TwoBodyJastrowRef.h:342-347 - exec0.370.41
Loop 361 - TwoBodyJastrowRef.h:342-347 - exec0.290.33
Loop 363 - TwoBodyJastrowRef.h:324-331 - exec0.290.32
Loop 357 - TwoBodyJastrowRef.h:342-347 - exec0.290.33
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.251.4
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.21.091.22
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.981.1
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.890.99
Loop 992 - inner_product.hpp:82-155 - exec+0.880.99
Loop 994 - inner_product.hpp:155-155 - exec0.590.66
Loop 996 - inner_product.hpp:82-83 - exec0.290.33
unknown_functionUnknown module0.770.86
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.630.7
Loop 332 - BsplineFunctor.h:291-297 - exec0.520.58
Loop 330 - BsplineFunctor.h:303-338 - exec0.070.08
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.530.6
Loop 352 - TwoBodyJastrowRef.h:155-156 - exec0.170.18
Loop 351 - TwoBodyJastrowRef.h:155-156 - exec0.140.15
Loop 350 - TwoBodyJastrowRef.h:155-156 - exec0.120.14
Loop 354 - stl_numeric.h:126-127 - exec0.080.09
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.460.52
Loop 981 - inner_product.hpp:155-155 - exec0.460.52
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.360.4
Loop 982 - inner_product.hpp:155-155 - exec0.250.29
Loop 985 - inner_product.hpp:82-83 - exec0.090.1
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.330.38
Loop 881 - inner_product.hpp:82-83 - exec+0.330.38
Loop 883 - inner_product.hpp:82-83 - exec0.330.38
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.330.37
Loop 960 - inner_product.hpp:210-212 - exec+0.330.37
Loop 962 - inner_product.hpp:211-212 - exec0.190.22
Loop 961 - inner_product.hpp:211-212 - exec0.140.15
mkl_lapack_xdlaswplibmkl_core.so.20.240.27
__intel_avx_rep_memcpyexec0.240.27
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.230.26
unknown_kernel_regionkernel0.190.21
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.10.11
Loop 975 - inner_product.hpp:82-155 - exec+0.10.12
Loop 979 - inner_product.hpp:155-155 - exec0.080.09
Loop 977 - inner_product.hpp:82-83 - exec0.020.03
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.090.1
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.080.09
Loop 303 - OneBodyJastrowRef.h:134-155 - exec+0.060.06
Loop 305 - BsplineFunctor.h:229-260 - exec+0.060.06
Loop 308 - BsplineFunctor.h:236-241 - exec0.060.06
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.080.09
Loop 368 - TwoBodyJastrowRef.h:268-420 - exec+0.050.08
Loop 370 - stl_algobase.h:752-754 - exec+0.050.08
Loop 381 - TwoBodyJastrowRef.h:381-382 - exec0.020.03
Loop 375 - TwoBodyJastrowRef.h:397-398 - exec0.010.02
Loop 377 - TwoBodyJastrowRef.h:388-391 - exec0.010.01
Loop 379 - TwoBodyJastrowRef.h:381-382 - exec0.010.02
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)exec0.070.08
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.060.07
qmcplusplus::TimerType::start()exec0.050.06
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.050.05
Loop 268 - OneBodyJastrowRef.h:186-187 - exec0.020.02
Loop 263 - OneBodyJastrowRef.h:192-193 - exec0.010.02
__kmp_api_omp_get_levellibiomp5.so0.040.05
_dl_update_slotinfold-2.28.so0.040.05
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.040.04
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.030.03
Loop 1004 - stl_algobase.h:740-742 - exec0.030.03
__dynamic_castlibstdc++.so.6.0.250.030.03
__kmp_get_global_thread_id_reglibiomp5.so0.020.03
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.020.03
qmcplusplus::TimerType::stop()exec0.020.03
__tls_get_addrld-2.28.so0.020.03
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.020.02
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.020.02
kmp_flag_native::notdone_check()libiomp5.so0.020.02
qmcplusplus::ParticleSet::update(bool)+exec0.020.02
Loop 1225 - ParticleSet.cpp:242-243 - exec0.020.02
_intel_fast_memsetexec0.010.02
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.010.02
Loop 313 - stl_algobase.h:752-754 - exec0.010.02
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...exec0.010.02
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.02
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.02
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.010.02
Loop 102 - WaveFunction.cpp:198-201 - exec0.010.01
DGEMVlibmkl_intel_lp64.so.20.010.01
mkl_blas_xdgemvlibmkl_core.so.20.010.01
mkl_blas_errchk_dgemvlibmkl_intel_lp64.so.20.010.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010.01
__libm_exp_z0exec0.010.01
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constexec0.010.01
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.010.01
Loop 988 - DelayedUpdate.h:137-138 - exec0.010.01
__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.6.0.250.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.010.01
Loop 329 - OneBodyJastrowRef.h:214-219 - exec0.010.01
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
.plt.sec@startlibiomp5.so0.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.200.01
__kmp_get_ancestor_thread_numlibiomp5.so00.01
__kmp_api_omp_in_parallellibiomp5.so00.01
qmcplusplus::ParticleSet::acceptMove(int)exec00.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec00.01
update_get_addrld-2.28.so00.01
main.extracted.110exec00.01
×