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Profiling MPI #0.41 - node isix03.benchmarkcenter.megware.com - process 59233 - thread 59722

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec19.4816.56
Loop 921 - MultiBsplineRef.hpp:42-71 - exec+19.4616.55
Loop 922 - MultiBsplineRef.hpp:63-71 - exec+19.4616.55
Loop 923 - MultiBsplineRef.hpp:64-71 - exec+19.4616.55
Loop 924 - MultiBsplineRef.hpp:68-70 - exec19.4616.55
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.218.9116.08
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec15.5913.25
Loop 1962 - SoaDistanceTableAAOMPTarget.h:440-442 - exec15.5813.25
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.212.0210.22
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec11.469.74
Loop 927 - MultiBsplineRef.hpp:187-286 - exec+10.759.14
Loop 930 - MultiBsplineRef.hpp:226-262 - exec+10.558.97
Loop 931 - MultiBsplineRef.hpp:227-262 - exec+10.558.97
Loop 933 - MultiBsplineRef.hpp:242-262 - exec10.558.97
Loop 929 - MultiBsplineRef.hpp:276-286 - exec0.200.17
Loop 925 - einspline_spo_ref.hpp:219-227 - exec+0.690.58
Loop 926 - einspline_spo_ref.hpp:223-227 - exec0.690.58
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec7.316.21
Loop 2218 - SoaDistanceTableABOMPTarget.h:214-228 - exec+7.306.21
Loop 2219 - SoaDistanceTableABOMPTarget.h:215-228 - exec+7.306.21
Loop 2217 - SoaDistanceTableABOMPTarget.h:228-228 - exec7.306.21
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.931.64
Loop 405 - TwoBodyJastrowRef.h:107-132 - exec+1.911.62
Loop 406 - BsplineFunctor.h:236-260 - exec+1.911.62
Loop 410 - BsplineFunctor.h:236-241 - exec1.881.59
Loop 408 - BsplineFunctor.h:246-260 - exec0.040.03
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.591.35
Loop 1419 - ParticleBConds3DSoa.h:235-256 - exec1.591.35
Loop 1418 - ParticleBConds3DSoa.h:235-256 - exec0.010.00
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.421.20
__intel_avx_rep_memset+exec1.281.08
Loop 2501 - - exec0.770.65
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.261.07
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.960.82
Loop 383 - TwoBodyJastrowRef.h:324-331 - exec0.270.23
Loop 380 - TwoBodyJastrowRef.h:342-347 - exec0.260.22
Loop 378 - TwoBodyJastrowRef.h:342-347 - exec0.220.19
Loop 376 - TwoBodyJastrowRef.h:342-347 - exec0.210.18
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so0.880.75
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.870.74
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.740.63
Loop 1044 - inner_product.hpp:82-155 - exec+0.740.63
Loop 1046 - inner_product.hpp:155-155 - exec0.560.47
Loop 1048 - inner_product.hpp:82-83 - exec0.180.15
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.660.56
Loop 1033 - inner_product.hpp:155-155 - exec0.650.55
__memcpy_avx512_unaligned_ermslibc.so.60.540.46
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.520.44
Loop 351 - BsplineFunctor.h:291-297 - exec0.450.38
Loop 349 - BsplineFunctor.h:303-338 - exec0.050.04
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.420.35
Loop 370 - TwoBodyJastrowRef.h:155-156 - exec0.150.13
Loop 371 - TwoBodyJastrowRef.h:155-156 - exec0.120.10
Loop 369 - TwoBodyJastrowRef.h:155-156 - exec0.100.08
Loop 373 - stl_numeric.h:140-141 - exec0.050.04
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.280.24
Loop 934 - inner_product.hpp:82-83 - exec+0.280.24
Loop 936 - inner_product.hpp:82-83 - exec0.280.24
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.190.16
Loop 1034 - inner_product.hpp:155-155 - exec0.110.09
Loop 1037 - inner_product.hpp:82-83 - exec0.080.07
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.180.15
__intel_avx_rep_memcpyexec0.170.14
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.140.12
unknown_kernel_regionkernel0.140.11
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.110.09
Loop 1009 - inner_product.hpp:210-212 - exec+0.110.09
Loop 1010 - inner_product.hpp:210-212 - exec+0.110.09
Loop 1011 - inner_product.hpp:211-212 - exec+0.110.09
Loop 1012 - inner_product.hpp:211-212 - exec0.110.09
mkl_lapack_xdlaswplibmkl_core.so.20.100.08
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.090.08
Loop 388 - TwoBodyJastrowRef.h:268-420 - exec+0.090.08
Loop 389 - TwoBodyJastrowRef.h:268-420 - exec+0.090.08
Loop 391 - TwoBodyJastrowRef.h:393-398 - exec0.020.02
Loop 401 - TwoBodyJastrowRef.h:375-376 - exec0.020.01
Loop 395 - TwoBodyJastrowRef.h:381-382 - exec0.020.01
Loop 393 - TwoBodyJastrowRef.h:388-391 - exec0.010.01
Loop 399 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 403 - stl_numeric.h:140-141 - exec0.010.00
Loop 397 - TwoBodyJastrowRef.h:381-382 - exec0.010.00
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.090.07
Loop 1028 - inner_product.hpp:82-155 - exec+0.090.07
Loop 1031 - inner_product.hpp:155-155 - exec0.080.06
Loop 1029 - inner_product.hpp:82-83 - exec0.010.01
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.060.06
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.060.05
Loop 324 - OneBodyJastrowRef.h:134-155 - exec+0.050.04
Loop 326 - OneBodyJastrowRef.h:134-146 - exec+0.050.04
Loop 330 - BsplineFunctor.h:236-241 - exec0.050.04
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.060.05
Loop 87 - NonLocalPP.hpp:122-135 - exec+0.010.01
Loop 88 - NonLocalPP.hpp:126-135 - exec+0.010.01
Loop 89 - NonLocalPP.hpp:131-132 - exec0.010.01
main.extracted.107exec0.040.04
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.040.03
Loop 1056 - stl_algobase.h:911-912 - exec0.040.03
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.030.02
__kmp_get_global_thread_id_reglibiomp5.so0.030.02
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.030.02
Loop 335 - stl_algobase.h:923-924 - exec0.030.02
__kmp_api_omp_get_levellibiomp5.so0.020.02
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.020.02
Loop 284 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 285 - OneBodyJastrowRef.h:192-193 - exec0.010.00
Loop 289 - OneBodyJastrowRef.h:186-187 - exec0.010.00
__GI___libc_freelibc.so.60.020.01
__dynamic_castlibstdc++.so.6.0.290.020.01
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.010.01
mkl_blas_avx512_dgemm_copyanlibmkl_avx512.so.20.010.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::TimerType::stop()+exec0.010.01
Loop 1662 - NewTimer.cpp:99-100 - exec0.010.00
qmcplusplus::TimerType::start()exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.010.01
Loop 311 - OneBodyJastrowRef.h:109-194 - exec+0.010.01
Loop 317 - OneBodyJastrowRef.h:192-193 - exec0.010.00
Loop 316 - OneBodyJastrowRef.h:192-193 - exec0.010.00
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
__libm_exp_z0exec0.010.00
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.00
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