options

Profiling MPI #0.16 - node isix03.benchmarkcenter.megware.com - process 59233 - thread 59478

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec20.2417.20
Loop 921 - MultiBsplineRef.hpp:42-71 - exec+20.2117.17
Loop 922 - MultiBsplineRef.hpp:63-71 - exec+20.2117.17
Loop 923 - MultiBsplineRef.hpp:64-71 - exec+20.2117.17
Loop 924 - MultiBsplineRef.hpp:68-70 - exec20.2117.17
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.218.4315.66
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec15.6913.34
Loop 1962 - SoaDistanceTableAAOMPTarget.h:440-442 - exec15.6913.33
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.212.0510.24
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec10.599.00
Loop 927 - MultiBsplineRef.hpp:187-286 - exec+10.118.59
Loop 930 - MultiBsplineRef.hpp:226-262 - exec+9.878.39
Loop 931 - MultiBsplineRef.hpp:227-262 - exec+9.878.39
Loop 933 - MultiBsplineRef.hpp:242-262 - exec9.878.39
Loop 929 - MultiBsplineRef.hpp:276-286 - exec0.240.20
Loop 925 - einspline_spo_ref.hpp:219-227 - exec+0.440.37
Loop 926 - einspline_spo_ref.hpp:223-227 - exec0.440.37
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec7.045.98
Loop 2218 - SoaDistanceTableABOMPTarget.h:214-228 - exec+7.045.98
Loop 2219 - SoaDistanceTableABOMPTarget.h:215-228 - exec+7.045.98
Loop 2217 - SoaDistanceTableABOMPTarget.h:228-228 - exec7.045.98
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.811.54
Loop 405 - TwoBodyJastrowRef.h:107-132 - exec+1.791.52
Loop 406 - BsplineFunctor.h:236-260 - exec+1.791.52
Loop 410 - BsplineFunctor.h:236-241 - exec1.771.50
Loop 408 - BsplineFunctor.h:246-260 - exec0.020.02
Loop 407 - BsplineFunctor.h:246-260 - exec0.010.00
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.601.36
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.581.34
Loop 1419 - ParticleBConds3DSoa.h:235-256 - exec1.581.34
__intel_avx_rep_memset+exec1.451.23
Loop 2501 - - exec0.900.76
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.441.22
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.311.11
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.880.74
Loop 376 - TwoBodyJastrowRef.h:342-347 - exec0.250.22
Loop 383 - TwoBodyJastrowRef.h:324-331 - exec0.210.18
Loop 380 - TwoBodyJastrowRef.h:342-347 - exec0.200.17
Loop 378 - TwoBodyJastrowRef.h:342-347 - exec0.190.16
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.870.73
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.820.70
Loop 1044 - inner_product.hpp:82-155 - exec+0.820.70
Loop 1046 - inner_product.hpp:155-155 - exec0.560.47
Loop 1048 - inner_product.hpp:82-83 - exec0.260.22
__memcpy_avx512_unaligned_ermslibc.so.60.570.48
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.510.43
Loop 1033 - inner_product.hpp:155-155 - exec0.510.43
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.500.42
Loop 351 - BsplineFunctor.h:291-297 - exec0.410.35
Loop 349 - BsplineFunctor.h:303-338 - exec0.050.04
Loop 348 - BsplineFunctor.h:303-335 - exec0.010.00
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.410.34
Loop 371 - TwoBodyJastrowRef.h:155-156 - exec0.150.13
Loop 369 - TwoBodyJastrowRef.h:155-156 - exec0.120.10
Loop 370 - TwoBodyJastrowRef.h:155-156 - exec0.090.08
Loop 373 - stl_numeric.h:140-141 - exec0.040.03
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.220.18
Loop 934 - inner_product.hpp:82-83 - exec+0.210.18
Loop 936 - inner_product.hpp:82-83 - exec0.210.18
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.180.16
Loop 1034 - inner_product.hpp:155-155 - exec0.130.11
Loop 1037 - inner_product.hpp:82-83 - exec0.050.04
__intel_avx_rep_memcpyexec0.160.13
mkl_lapack_xdlaswplibmkl_core.so.20.150.13
unknown_kernel_regionkernel0.150.12
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.140.12
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.140.12
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.130.11
Loop 388 - TwoBodyJastrowRef.h:268-420 - exec+0.130.11
Loop 389 - TwoBodyJastrowRef.h:268-420 - exec+0.130.11
Loop 395 - TwoBodyJastrowRef.h:381-382 - exec0.050.04
Loop 391 - TwoBodyJastrowRef.h:393-398 - exec0.040.03
Loop 397 - TwoBodyJastrowRef.h:381-382 - exec0.020.02
Loop 401 - TwoBodyJastrowRef.h:375-376 - exec0.010.01
Loop 399 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.110.09
Loop 1028 - inner_product.hpp:82-155 - exec+0.110.09
Loop 1031 - inner_product.hpp:155-155 - exec0.090.08
Loop 1029 - inner_product.hpp:82-83 - exec0.010.01
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.100.08
Loop 1009 - inner_product.hpp:210-212 - exec+0.100.08
Loop 1010 - inner_product.hpp:210-212 - exec+0.100.08
Loop 1011 - inner_product.hpp:211-212 - exec+0.100.08
Loop 1012 - inner_product.hpp:211-212 - exec0.100.08
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)exec0.080.06
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.050.04
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.050.04
Loop 324 - OneBodyJastrowRef.h:134-155 - exec+0.040.04
Loop 326 - OneBodyJastrowRef.h:134-146 - exec+0.040.04
Loop 330 - BsplineFunctor.h:236-241 - exec0.040.04
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.050.04
Loop 289 - OneBodyJastrowRef.h:186-187 - exec0.020.01
Loop 284 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 286 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 285 - OneBodyJastrowRef.h:192-193 - exec0.010.00
__kmp_get_global_thread_id_reglibiomp5.so0.040.04
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.040.03
Loop 335 - stl_algobase.h:923-924 - exec0.040.03
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.030.02
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.030.02
Loop 1056 - stl_algobase.h:911-912 - exec0.030.02
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.020.02
__kmp_api_omp_get_levellibiomp5.so0.020.02
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.020.01
kmp_flag_native::notdone_check()libiomp5.so0.020.01
qmcplusplus::TimerType::start()exec0.020.01
__tls_get_addrld-linux-x86-64.so.20.020.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.020.01
Loop 311 - OneBodyJastrowRef.h:109-194 - exec+0.020.01
Loop 318 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 321 - OneBodyJastrowRef.h:186-187 - exec0.010.00
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)exec0.020.01
__libm_exp_z0exec0.010.01
__kmp_api_omp_get_ancestor_thread_numlibiomp5.so0.010.01
qmcplusplus::TimerType::stop()exec0.010.01
qmcplusplus::ParticleSet::acceptMove(int)exec0.010.01
qmcplusplus::ParticleSet::update(bool)exec0.010.01
qmcplusplus::ParticleSet::getDistTableAA(int) constexec0.010.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.010.00
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010.00
__dynamic_castlibstdc++.so.6.0.290.010.00
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