options

Profiling MPI #0.0 - node isix03.benchmarkcenter.megware.com - process 19948 - thread 19948

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec20.1917.20
Loop 917 - MultiBsplineRef.hpp:42-71 - exec+20.1617.18
Loop 918 - MultiBsplineRef.hpp:63-71 - exec+20.1617.18
Loop 919 - MultiBsplineRef.hpp:64-71 - exec+20.1617.18
Loop 920 - MultiBsplineRef.hpp:68-70 - exec20.1617.18
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.218.8816.09
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec15.7613.43
Loop 1944 - SoaDistanceTableAAOMPTarget.h:440-442 - exec15.7513.42
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.9710.20
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec9.848.39
Loop 923 - MultiBsplineRef.hpp:187-286 - exec+9.147.79
Loop 925 - MultiBsplineRef.hpp:226-262 - exec+8.937.62
Loop 926 - MultiBsplineRef.hpp:227-262 - exec+8.937.62
Loop 927 - MultiBsplineRef.hpp:242-262 - exec8.937.62
Loop 924 - MultiBsplineRef.hpp:276-286 - exec0.210.17
Loop 921 - einspline_spo_ref.hpp:219-227 - exec+0.700.60
Loop 922 - einspline_spo_ref.hpp:223-227 - exec0.700.60
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec6.935.91
Loop 2202 - SoaDistanceTableABOMPTarget.h:214-228 - exec+6.935.90
Loop 2203 - SoaDistanceTableABOMPTarget.h:215-228 - exec+6.935.90
Loop 2204 - SoaDistanceTableABOMPTarget.h:228-228 - exec6.935.90
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec2.021.72
Loop 404 - TwoBodyJastrowRef.h:107-132 - exec+1.991.69
Loop 405 - BsplineFunctor.h:236-260 - exec+1.991.69
Loop 408 - BsplineFunctor.h:236-241 - exec1.941.65
Loop 406 - BsplineFunctor.h:246-260 - exec0.050.04
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.521.30
Loop 1399 - ParticleBConds3DSoa.h:235-256 - exec1.511.29
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.411.20
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.391.19
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.341.14
__intel_avx_rep_memset+exec1.211.03
Loop 2471 - - exec0.660.56
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.990.84
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.820.70
Loop 374 - TwoBodyJastrowRef.h:342-347 - exec0.230.20
Loop 376 - TwoBodyJastrowRef.h:342-347 - exec0.210.17
Loop 372 - TwoBodyJastrowRef.h:342-347 - exec0.190.16
Loop 378 - TwoBodyJastrowRef.h:324-331 - exec0.180.15
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.760.65
Loop 1040 - inner_product.hpp:82-155 - exec+0.760.65
Loop 1042 - inner_product.hpp:155-155 - exec0.550.47
Loop 1044 - inner_product.hpp:82-83 - exec0.210.18
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.540.46
Loop 1029 - inner_product.hpp:155-155 - exec0.540.46
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.530.46
Loop 348 - BsplineFunctor.h:291-297 - exec0.420.36
Loop 346 - BsplineFunctor.h:303-338 - exec0.080.06
__memcpy_avx512_unaligned_ermslibc.so.60.450.39
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.440.37
Loop 366 - TwoBodyJastrowRef.h:155-156 - exec0.130.11
Loop 367 - TwoBodyJastrowRef.h:155-156 - exec0.120.10
Loop 365 - TwoBodyJastrowRef.h:155-156 - exec0.100.08
Loop 369 - stl_numeric.h:140-141 - exec0.060.05
Loop 370 - TwoBodyJastrowRef.h:269-274 - exec0.010.00
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.270.23
Loop 1030 - inner_product.hpp:155-155 - exec0.200.17
Loop 1033 - inner_product.hpp:82-83 - exec0.060.05
MPIDU_Init_shm_barrierlibmpi.so.12.0.00.260.22
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.240.21
Loop 1006 - inner_product.hpp:210-212 - exec+0.240.20
Loop 1008 - inner_product.hpp:211-212 - exec0.130.12
Loop 1007 - inner_product.hpp:211-212 - exec0.110.09
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.220.19
Loop 928 - inner_product.hpp:82-83 - exec+0.220.18
Loop 930 - inner_product.hpp:82-83 - exec0.220.18
unknown_kernel_regionkernel0.180.16
__intel_avx_rep_memcpyexec0.170.14
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.150.12
Loop 383 - TwoBodyJastrowRef.h:268-420 - exec+0.150.12
Loop 384 - TwoBodyJastrowRef.h:268-420 - exec+0.150.12
Loop 398 - TwoBodyJastrowRef.h:381-382 - exec0.040.03
Loop 396 - TwoBodyJastrowRef.h:381-382 - exec0.040.03
Loop 394 - TwoBodyJastrowRef.h:381-382 - exec0.030.02
Loop 400 - TwoBodyJastrowRef.h:375-376 - exec0.020.02
Loop 389 - TwoBodyJastrowRef.h:397-398 - exec0.020.02
Loop 402 - stl_numeric.h:140-141 - exec0.010.00
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.130.11
mkl_lapack_xdlaswplibmkl_core.so.20.120.10
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)exec0.120.10
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.110.09
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.110.09
Loop 1024 - inner_product.hpp:82-155 - exec+0.110.09
Loop 1027 - inner_product.hpp:155-155 - exec0.070.06
Loop 1025 - inner_product.hpp:82-83 - exec0.040.03
unknown_function[vdso]0.110.09
std::map, double, std::less >, std::allocator const, double> > >::operator[](qmcplusplus::StackKeyParam<2> const&)exec0.060.05
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.060.05
qmcplusplus::TimerType::stop()exec0.060.05
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.050.04
qmcplusplus::ParticleSet::acceptMove(int)exec0.050.04
qmcplusplus::TimerType::start()exec0.040.04
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.040.03
Loop 323 - OneBodyJastrowRef.h:134-155 - exec+0.030.02
Loop 325 - OneBodyJastrowRef.h:134-146 - exec+0.030.02
Loop 328 - BsplineFunctor.h:236-241 - exec0.030.02
kmp_flag_native::notdone_check()libiomp5.so0.030.02
__kmp_get_global_thread_id_reglibiomp5.so0.020.02
std::map, long, std::less >, std::allocator const, long> > >::operator[](qmcplusplus::StackKeyParam<2> const&)exec0.020.02
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.02
Loop 333 - stl_algobase.h:923-924 - exec0.020.02
std::chrono::_V2::system_clock::now()libstdc++.so.6.0.290.020.02
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.020.02
Loop 1052 - stl_algobase.h:911-912 - exec0.020.02
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.020.02
Loop 310 - OneBodyJastrowRef.h:109-194 - exec+0.010.01
Loop 315 - OneBodyJastrowRef.h:192-193 - exec0.010.01
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.020.02
Loop 288 - OneBodyJastrowRef.h:186-187 - exec0.010.00
Loop 285 - OneBodyJastrowRef.h:192-193 - exec0.010.00
qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)exec0.020.02
mkl_serv_domain_get_max_threadslibmkl_intel_thread.so.20.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.010.01
inflate_fastlibmpi.so.12.0.00.010.01
__GI___libc_malloclibc.so.60.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::TimerManager >::pop_timer(qmcplusplus::TimerType*)exec0.010.01
qmcplusplus::RealSpacePositions::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)exec0.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)exec0.010.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
.plt.sec@startlibstdc++.so.6.0.290.010.01
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