options

Profiling MPI #1.22 - node isix03.benchmarkcenter.megware.com - process 19967 - thread 20217

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec20.3217.32
Loop 917 - MultiBsplineRef.hpp:42-71 - exec+20.3117.31
Loop 918 - MultiBsplineRef.hpp:63-71 - exec+20.3117.31
Loop 919 - MultiBsplineRef.hpp:64-71 - exec+20.3117.31
Loop 920 - MultiBsplineRef.hpp:68-70 - exec20.3117.31
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.216.7714.29
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec15.8713.52
Loop 1944 - SoaDistanceTableAAOMPTarget.h:440-442 - exec15.8713.52
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.659.92
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec11.249.58
Loop 923 - MultiBsplineRef.hpp:187-286 - exec+10.518.96
Loop 925 - MultiBsplineRef.hpp:226-262 - exec+10.358.82
Loop 926 - MultiBsplineRef.hpp:227-262 - exec+10.358.82
Loop 927 - MultiBsplineRef.hpp:242-262 - exec10.358.82
Loop 924 - MultiBsplineRef.hpp:276-286 - exec0.160.14
Loop 921 - einspline_spo_ref.hpp:219-227 - exec+0.690.59
Loop 922 - einspline_spo_ref.hpp:223-227 - exec0.690.59
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec7.086.03
Loop 2202 - SoaDistanceTableABOMPTarget.h:214-228 - exec+7.086.03
Loop 2203 - SoaDistanceTableABOMPTarget.h:215-228 - exec+7.086.03
Loop 2204 - SoaDistanceTableABOMPTarget.h:228-228 - exec7.086.03
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so2.131.81
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec2.051.74
Loop 404 - TwoBodyJastrowRef.h:107-132 - exec+2.011.71
Loop 405 - BsplineFunctor.h:236-260 - exec+2.011.71
Loop 408 - BsplineFunctor.h:236-241 - exec1.981.68
Loop 406 - BsplineFunctor.h:246-260 - exec0.030.03
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.451.23
Loop 1399 - ParticleBConds3DSoa.h:235-256 - exec1.451.23
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.421.21
__intel_avx_rep_memset+exec1.261.07
Loop 2471 - - exec0.870.74
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.100.94
Loop 372 - TwoBodyJastrowRef.h:342-347 - exec0.320.27
Loop 376 - TwoBodyJastrowRef.h:342-347 - exec0.290.25
Loop 378 - TwoBodyJastrowRef.h:324-331 - exec0.270.23
Loop 374 - TwoBodyJastrowRef.h:342-347 - exec0.210.18
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.060.90
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.21.040.89
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.890.75
Loop 1040 - inner_product.hpp:82-155 - exec+0.890.75
Loop 1042 - inner_product.hpp:155-155 - exec0.630.54
Loop 1044 - inner_product.hpp:82-83 - exec0.250.22
__memcpy_avx512_unaligned_ermslibc.so.60.630.53
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.630.53
Loop 1029 - inner_product.hpp:155-155 - exec0.630.53
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.510.43
Loop 348 - BsplineFunctor.h:291-297 - exec0.480.41
Loop 346 - BsplineFunctor.h:303-338 - exec0.020.01
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.400.34
Loop 367 - TwoBodyJastrowRef.h:155-156 - exec0.150.13
Loop 366 - TwoBodyJastrowRef.h:155-156 - exec0.110.10
Loop 365 - TwoBodyJastrowRef.h:155-156 - exec0.090.08
Loop 369 - stl_numeric.h:140-141 - exec0.040.03
Loop 370 - TwoBodyJastrowRef.h:269-274 - exec0.010.01
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.260.23
Loop 928 - inner_product.hpp:82-83 - exec+0.260.22
Loop 930 - inner_product.hpp:82-83 - exec0.260.22
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.230.20
Loop 1033 - inner_product.hpp:82-83 - exec0.120.10
Loop 1030 - inner_product.hpp:155-155 - exec0.110.10
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 1008 - inner_product.hpp:211-212 - exec0.160.14
Loop 1007 - inner_product.hpp:211-212 - exec0.070.06
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.180.15
unknown_kernel_regionkernel0.150.13
__intel_avx_rep_memcpyexec0.150.13
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.130.11
mkl_lapack_xdlaswplibmkl_core.so.20.120.10
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.120.10
Loop 1024 - inner_product.hpp:82-155 - exec+0.120.10
Loop 1027 - inner_product.hpp:155-155 - exec0.090.08
Loop 1025 - inner_product.hpp:82-83 - exec0.020.02
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.090.08
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.080.07
Loop 383 - TwoBodyJastrowRef.h:268-420 - exec+0.080.06
Loop 384 - TwoBodyJastrowRef.h:268-420 - exec+0.080.06
Loop 396 - TwoBodyJastrowRef.h:381-382 - exec0.040.03
Loop 394 - TwoBodyJastrowRef.h:381-382 - exec0.020.01
Loop 400 - TwoBodyJastrowRef.h:375-376 - exec0.010.00
Loop 398 - TwoBodyJastrowRef.h:381-382 - exec0.010.00
Loop 392 - TwoBodyJastrowRef.h:388-391 - exec0.010.00
Loop 391 - TwoBodyJastrowRef.h:397-398 - exec0.010.00
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)exec0.060.05
kmp_flag_native::notdone_check()libiomp5.so0.050.04
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.050.04
Loop 323 - OneBodyJastrowRef.h:134-155 - exec+0.040.03
Loop 325 - OneBodyJastrowRef.h:134-146 - exec+0.040.03
Loop 328 - BsplineFunctor.h:236-241 - exec0.040.03
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.050.04
mkl_blas_avx512_d_generic_fullacopybcopylibmkl_avx512.so.20.050.04
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.040.03
__kmp_get_global_thread_id_reglibiomp5.so0.040.03
qmcplusplus::TimerType::stop()exec0.030.03
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.030.03
Loop 1052 - stl_algobase.h:911-912 - exec0.030.03
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.030.03
Loop 283 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 288 - OneBodyJastrowRef.h:186-187 - exec0.010.00
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.020.02
qmcplusplus::TimerType::start()+exec0.020.02
Loop 1630 - NewTimer.cpp:53-54 - exec0.010.00
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.02
Loop 333 - stl_algobase.h:923-924 - exec0.020.02
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.020.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)exec0.020.01
__dynamic_castlibstdc++.so.6.0.290.020.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010.01
__kmp_api_omp_get_levellibiomp5.so0.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.010.01
qmcplusplus::ParticleSet::update(bool)exec0.010.01
qmcplusplus::Vector > >::resize(unsigned long, double)exec0.010.01
qmcplusplus::DelayedUpdate::updateInvMat(qmcplusplus::Matrix >&)exec0.010.01
__tls_get_addrld-linux-x86-64.so.20.010.01
main.extracted.107exec0.010.01
__libm_exp_z0exec0.010.00
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.010.00
Loop 310 - OneBodyJastrowRef.h:109-194 - exec+0.010.00
Loop 317 - OneBodyJastrowRef.h:192-193 - exec0.010.00
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