options

Profiling MPI #1.3 - node isix03.benchmarkcenter.megware.com - process 59880 - thread 59932

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec18.9515.93
Loop 953 - einspline_spo_ref.hpp:175-176 - exec+18.9515.93
Loop 955 - MultiBsplineRef.hpp:63-71 - exec+18.9515.93
Loop 954 - MultiBsplineRef.hpp:64-71 - exec+18.9515.93
Loop 956 - MultiBsplineRef.hpp:68-71 - exec18.9515.93
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.217.9115.05
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec16.0913.52
Loop 2539 - SoaDistanceTableAAOMPTarget.h:440-442 - exec16.0913.52
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+exec12.9210.85
Loop 1023 - MultiBsplineRef.hpp:226-262 - exec+12.3910.41
Loop 1022 - MultiBsplineRef.hpp:227-262 - exec+12.3910.41
Loop 1021 - MultiBsplineRef.hpp:242-262 - exec12.3910.41
Loop 1020 - MultiBsplineRef.hpp:276-286 - exec0.510.42
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.559.71
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec7.976.70
Loop 3108 - SoaDistanceTableABOMPTarget.h:214-228 - exec+7.976.70
Loop 3107 - SoaDistanceTableABOMPTarget.h:215-228 - exec+7.976.70
Loop 3109 - SoaDistanceTableABOMPTarget.h:228-228 - exec7.976.70
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec2.001.68
Loop 380 - TwoBodyJastrowRef.h:107-132 - exec+1.981.66
Loop 381 - TwoBodyJastrowRef.h:127-132 - exec+1.981.66
Loop 382 - BsplineFunctor.h:236-241 - exec1.931.62
Loop 383 - BsplineFunctor.h:246-260 - exec0.050.04
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.431.20
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.331.12
__memset_avx512_unaligned_ermslibc.so.61.130.95
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.010.85
Loop 617 - TwoBodyJastrowRef.h:334-355 - exec+0.710.60
Loop 619 - TwoBodyJastrowRef.h:342-347 - exec0.710.60
Loop 620 - TwoBodyJastrowRef.h:324-331 - exec0.280.24
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+exec0.990.83
Loop 2652 - ParticleBConds3DSoa.h:237-255 - exec0.490.41
Loop 2653 - ParticleBConds3DSoa.h:237-255 - exec0.490.41
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.950.80
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.740.62
Loop 1130 - DiracDeterminantRef.cpp:173-178 - exec+0.740.62
Loop 1131 - inner_product.hpp:155-155 - exec0.490.41
Loop 1132 - inner_product.hpp:82-83 - exec0.250.21
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.670.56
Loop 290 - TwoBodyJastrowRef.h:269-271 - exec+0.310.26
Loop 291 - BsplineFunctor.h:291-298 - exec0.260.22
Loop 293 - BsplineFunctor.h:305-336 - exec0.050.04
Loop 288 - TwoBodyJastrowRef.h:150-157 - exec+0.310.26
Loop 287 - TwoBodyJastrowRef.h:150-157 - exec+0.310.26
Loop 286 - TwoBodyJastrowRef.h:150-157 - exec+0.310.26
Loop 285 - TwoBodyJastrowRef.h:155-156 - exec0.310.26
Loop 289 - stl_numeric.h:140-141 - exec0.030.02
__memcpy_avx512_unaligned_ermslibc.so.60.670.56
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.610.51
Loop 1127 - inner_product.hpp:155-155 - exec0.610.51
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec0.570.47
Loop 1024 - einspline_spo_ref.hpp:219-227 - exec+0.550.46
Loop 1025 - einspline_spo_ref.hpp:223-227 - exec0.550.46
Loop 1026 - einspline_spo_ref.hpp:206-207 - exec0.010.00
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.300.25
Loop 1148 - inner_product.hpp:210-212 - exec+0.200.17
Loop 1150 - inner_product.hpp:210-212 - exec+0.200.17
Loop 1149 - inner_product.hpp:211-212 - exec0.200.17
Loop 1137 - DiracDeterminantRef.cpp:247-252 - exec+0.100.08
Loop 1139 - inner_product.hpp:155-155 - exec0.050.04
Loop 1138 - inner_product.hpp:82-83 - exec0.050.04
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.290.25
Loop 1125 - SPOSet.h:83-86 - exec+0.290.24
Loop 1126 - inner_product.hpp:82-83 - exec0.290.24
miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+exec0.240.21
Loop 613 - TwoBodyJastrowRef.h:269-271 - exec+0.230.20
Loop 614 - BsplineFunctor.h:291-298 - exec0.230.20
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+exec0.170.14
Loop 2888 - ParticleBConds3DSoa.h:237-255 - exec0.110.09
Loop 2889 - ParticleBConds3DSoa.h:237-255 - exec0.050.05
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.160.13
mkl_lapack_xdlaswplibmkl_core.so.20.150.13
miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)+exec0.150.12
Loop 621 - TwoBodyJastrowRef.h:268-398 - exec+0.150.12
Loop 627 - TwoBodyJastrowRef.h:268-398 - exec+0.150.12
Loop 634 - TwoBodyJastrowRef.h:377-383 - exec+0.070.06
Loop 633 - TwoBodyJastrowRef.h:381-382 - exec0.070.06
Loop 625 - TwoBodyJastrowRef.h:269-271 - exec+0.040.03
Loop 639 - BsplineFunctor.h:291-298 - exec0.040.03
Loop 641 - BsplineFunctor.h:305-336 - exec0.010.00
Loop 630 - TwoBodyJastrowRef.h:388-398 - exec+0.020.02
Loop 631 - TwoBodyJastrowRef.h:397-398 - exec0.020.02
Loop 632 - TwoBodyJastrowRef.h:388-391 - exec0.010.01
unknown_kernel_regionkernel0.130.11
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.120.10
Loop 1124 - inner_product.hpp:82-83 - exec0.070.06
Loop 1123 - inner_product.hpp:155-155 - exec0.040.04
main._omp_fn.1+exec0.110.09
Loop 102 - alloc_traits.h:277-277 - exec+0.010.00
Loop 119 - new_allocator.h:88-172 - exec+0.010.00
Loop 120 - ParticleSet.h:277-277 - exec+0.010.00
Loop 121 - OperatorTags.h:43-63 - exec+0.010.00
Loop 122 - OperatorTags.h:43-63 - exec0.010.00
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.060.05
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.060.05
Loop 252 - OneBodyJastrowRef.h:134-155 - exec+0.050.04
Loop 254 - OneBodyJastrowRef.h:143-146 - exec+0.050.04
Loop 255 - BsplineFunctor.h:236-241 - exec0.050.04
qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec0.050.04
Loop 2624 - SoaDistanceTableAAOMPTarget.h:184-185 - exec+0.050.04
Loop 2625 - ParticleBConds3DSoa.h:237-255 - exec0.050.04
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.040.04
Loop 1182 - stl_algobase.h:262-1151 - exec+0.040.04
Loop 1185 - stl_algobase.h:939-940 - exec0.040.04
mkl_blas_dgemvlibmkl_sequential.so.20.040.03
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.040.03
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.040.03
gomp_team_barrier_wait_endlibgomp.so.1.0.00.040.03
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.030.02
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)+exec0.030.02
Loop 2885 - stl_algo.h:683-709 - exec0.010.00
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.030.02
Loop 833 - OneBodyJastrowRef.h:184-194 - exec+0.020.01
Loop 832 - OneBodyJastrowRef.h:184-194 - exec+0.020.01
Loop 831 - OneBodyJastrowRef.h:184-194 - exec+0.020.01
Loop 830 - OneBodyJastrowRef.h:192-193 - exec0.020.01
Loop 829 - stl_numeric.h:140-141 - exec0.010.00
Loop 834 - OneBodyJastrowRef.h:186-187 - exec0.010.00
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.020.02
f64xsubf128libm.so.60.020.02
__dynamic_castlibstdc++.so.6.0.330.020.01
qmcplusplus::TimerType::stop()exec0.020.01
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constexec0.020.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*) [clone .isra.0]exec0.020.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010.01
__GI___libc_malloclibc.so.60.010.01
qmcplusplus::ParticleSet::update(bool)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particl...+exec0.010.01
Loop 369 - OneBodyJastrowRef.h:109-237 - exec+0.010.01
Loop 371 - OneBodyJastrowRef.h:184-194 - exec+0.010.01
Loop 370 - OneBodyJastrowRef.h:192-193 - exec0.010.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
unknown_functionexec0.010.01
qmcplusplus::TimerType::start()exec0.010.00
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