options

Profiling MPI #1.26 - node isix03.benchmarkcenter.megware.com - process 19967 - thread 20253

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec20.1017.14
Loop 917 - MultiBsplineRef.hpp:42-71 - exec+20.0817.12
Loop 918 - MultiBsplineRef.hpp:63-71 - exec+20.0817.12
Loop 919 - MultiBsplineRef.hpp:64-71 - exec+20.0817.12
Loop 920 - MultiBsplineRef.hpp:68-70 - exec20.0817.12
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.217.5514.96
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec15.7313.42
Loop 1944 - SoaDistanceTableAAOMPTarget.h:440-442 - exec15.7313.42
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.212.1410.35
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec11.7510.02
Loop 923 - MultiBsplineRef.hpp:187-286 - exec+10.919.30
Loop 925 - MultiBsplineRef.hpp:226-262 - exec+10.719.13
Loop 926 - MultiBsplineRef.hpp:227-262 - exec+10.719.13
Loop 927 - MultiBsplineRef.hpp:242-262 - exec10.719.13
Loop 924 - MultiBsplineRef.hpp:276-286 - exec0.200.17
Loop 921 - einspline_spo_ref.hpp:219-227 - exec+0.800.68
Loop 922 - einspline_spo_ref.hpp:223-227 - exec0.800.68
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec7.416.32
Loop 2202 - SoaDistanceTableABOMPTarget.h:214-228 - exec+7.396.30
Loop 2203 - SoaDistanceTableABOMPTarget.h:215-228 - exec+7.396.30
Loop 2204 - SoaDistanceTableABOMPTarget.h:228-228 - exec7.396.30
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec2.071.76
Loop 404 - TwoBodyJastrowRef.h:107-132 - exec+2.061.75
Loop 405 - BsplineFunctor.h:236-260 - exec+2.061.75
Loop 408 - BsplineFunctor.h:236-241 - exec2.011.71
Loop 406 - BsplineFunctor.h:246-260 - exec0.050.04
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.641.39
Loop 1399 - ParticleBConds3DSoa.h:235-256 - exec1.631.39
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.321.12
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.241.06
__intel_avx_rep_memset+exec1.171.00
Loop 2471 - - exec0.760.65
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.140.97
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.990.84
Loop 376 - TwoBodyJastrowRef.h:342-347 - exec0.280.24
Loop 372 - TwoBodyJastrowRef.h:342-347 - exec0.260.22
Loop 374 - TwoBodyJastrowRef.h:342-347 - exec0.230.20
Loop 378 - TwoBodyJastrowRef.h:324-331 - exec0.200.17
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.900.76
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.840.72
Loop 1040 - inner_product.hpp:82-155 - exec+0.840.72
Loop 1042 - inner_product.hpp:155-155 - exec0.580.50
Loop 1044 - inner_product.hpp:82-83 - exec0.260.23
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.590.50
Loop 1029 - inner_product.hpp:155-155 - exec0.590.50
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.510.43
Loop 348 - BsplineFunctor.h:291-297 - exec0.460.39
Loop 346 - BsplineFunctor.h:303-338 - exec0.040.03
__memcpy_avx512_unaligned_ermslibc.so.60.400.34
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.340.29
Loop 366 - TwoBodyJastrowRef.h:155-156 - exec0.110.09
Loop 367 - TwoBodyJastrowRef.h:155-156 - exec0.100.09
Loop 365 - TwoBodyJastrowRef.h:155-156 - exec0.090.07
Loop 369 - stl_numeric.h:140-141 - exec0.050.04
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.260.22
Loop 928 - inner_product.hpp:82-83 - exec+0.260.22
Loop 930 - inner_product.hpp:82-83 - exec0.260.22
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.230.20
Loop 1006 - inner_product.hpp:210-212 - exec+0.230.20
Loop 1007 - inner_product.hpp:211-212 - exec0.130.11
Loop 1008 - inner_product.hpp:211-212 - exec0.110.09
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.210.17
Loop 1030 - inner_product.hpp:155-155 - exec0.100.09
Loop 1033 - inner_product.hpp:82-83 - exec0.090.08
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.200.17
__intel_avx_rep_memcpyexec0.190.16
mkl_lapack_xdlaswplibmkl_core.so.20.130.11
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.120.11
Loop 87 - NonLocalPP.hpp:122-135 - exec+0.010.00
Loop 88 - NonLocalPP.hpp:126-135 - exec+0.010.00
Loop 89 - NonLocalPP.hpp:131-132 - exec0.010.00
unknown_kernel_regionkernel0.120.10
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.100.09
Loop 1024 - inner_product.hpp:82-155 - exec+0.100.09
Loop 1027 - inner_product.hpp:155-155 - exec0.080.07
Loop 1025 - inner_product.hpp:82-83 - exec0.020.02
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.080.07
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.060.05
Loop 383 - TwoBodyJastrowRef.h:268-420 - exec+0.060.05
Loop 384 - TwoBodyJastrowRef.h:268-420 - exec+0.060.05
Loop 398 - TwoBodyJastrowRef.h:381-382 - exec0.020.02
Loop 394 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 392 - TwoBodyJastrowRef.h:388-391 - exec0.010.01
Loop 396 - TwoBodyJastrowRef.h:381-382 - exec0.010.00
Loop 390 - TwoBodyJastrowRef.h:397-398 - exec0.010.00
Loop 389 - TwoBodyJastrowRef.h:397-398 - exec0.010.00
Loop 402 - stl_numeric.h:140-141 - exec0.010.00
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.050.04
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.040.04
Loop 283 - OneBodyJastrowRef.h:192-193 - exec0.020.02
Loop 288 - OneBodyJastrowRef.h:186-187 - exec0.010.01
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.040.03
__kmp_get_global_thread_id_reglibiomp5.so0.040.03
qmcplusplus::TimerType::start()exec0.040.03
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.030.03
Loop 323 - OneBodyJastrowRef.h:134-155 - exec+0.020.02
Loop 325 - OneBodyJastrowRef.h:134-146 - exec+0.020.02
Loop 328 - BsplineFunctor.h:236-241 - exec0.020.02
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.020.02
Loop 1052 - stl_algobase.h:911-912 - exec0.020.02
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.02
Loop 333 - stl_algobase.h:923-924 - exec0.020.02
__kmp_api_omp_get_levellibiomp5.so0.020.02
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.010.01
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.010.01
qmcplusplus::Vector > >::resize(unsigned long, double)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.010.01
Loop 310 - OneBodyJastrowRef.h:109-194 - exec+0.010.01
Loop 320 - OneBodyJastrowRef.h:186-187 - exec0.010.00
Loop 316 - OneBodyJastrowRef.h:192-193 - exec0.010.00
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
main.extracted.107exec0.010.01
__libm_exp_z0exec0.010.00
__dynamic_castlibstdc++.so.6.0.290.010.00
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