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Profiling MPI #4.4 - node isix03.benchmarkcenter.megware.com - process 59874 - thread 59954

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec19.0215.87
Loop 953 - einspline_spo_ref.hpp:175-176 - exec+18.9915.84
Loop 955 - MultiBsplineRef.hpp:63-71 - exec+18.9915.84
Loop 954 - MultiBsplineRef.hpp:64-71 - exec+18.9915.84
Loop 956 - MultiBsplineRef.hpp:68-71 - exec18.9915.84
Loop 952 - einspline_spo_ref.hpp:183-187 - exec0.010.00
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.218.3915.34
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec15.1112.61
Loop 2539 - SoaDistanceTableAAOMPTarget.h:440-442 - exec15.1112.61
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+exec13.7311.45
Loop 1023 - MultiBsplineRef.hpp:226-262 - exec+13.1410.96
Loop 1022 - MultiBsplineRef.hpp:227-262 - exec+13.1410.96
Loop 1021 - MultiBsplineRef.hpp:242-262 - exec13.1410.96
Loop 1020 - MultiBsplineRef.hpp:276-286 - exec0.550.46
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.909.93
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec7.576.32
Loop 3108 - SoaDistanceTableABOMPTarget.h:214-228 - exec+7.576.31
Loop 3107 - SoaDistanceTableABOMPTarget.h:215-228 - exec+7.576.31
Loop 3109 - SoaDistanceTableABOMPTarget.h:228-228 - exec7.576.31
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec2.191.83
Loop 380 - TwoBodyJastrowRef.h:107-132 - exec+2.181.81
Loop 381 - TwoBodyJastrowRef.h:127-132 - exec+2.181.81
Loop 382 - BsplineFunctor.h:236-241 - exec2.121.76
Loop 383 - BsplineFunctor.h:246-260 - exec0.060.05
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.170.98
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.160.96
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+exec1.070.89
Loop 2653 - ParticleBConds3DSoa.h:237-255 - exec0.610.50
Loop 2652 - ParticleBConds3DSoa.h:237-255 - exec0.460.38
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.960.80
Loop 617 - TwoBodyJastrowRef.h:334-355 - exec+0.680.57
Loop 619 - TwoBodyJastrowRef.h:342-347 - exec0.680.57
Loop 620 - TwoBodyJastrowRef.h:324-331 - exec0.270.22
__memset_avx512_unaligned_ermslibc.so.60.950.79
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.890.74
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.830.70
Loop 1130 - DiracDeterminantRef.cpp:173-178 - exec+0.830.69
Loop 1131 - inner_product.hpp:155-155 - exec0.570.47
Loop 1132 - inner_product.hpp:82-83 - exec0.260.22
__memcpy_avx512_unaligned_ermslibc.so.60.700.58
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.650.55
Loop 288 - TwoBodyJastrowRef.h:150-157 - exec+0.350.29
Loop 287 - TwoBodyJastrowRef.h:150-157 - exec+0.350.29
Loop 286 - TwoBodyJastrowRef.h:150-157 - exec+0.350.29
Loop 285 - TwoBodyJastrowRef.h:155-156 - exec0.350.29
Loop 290 - TwoBodyJastrowRef.h:269-271 - exec+0.280.23
Loop 291 - BsplineFunctor.h:291-298 - exec0.250.21
Loop 293 - BsplineFunctor.h:305-336 - exec0.030.02
Loop 289 - stl_numeric.h:140-141 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.550.45
Loop 1127 - inner_product.hpp:155-155 - exec0.550.45
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec0.480.40
Loop 1024 - einspline_spo_ref.hpp:219-227 - exec+0.480.40
Loop 1025 - einspline_spo_ref.hpp:223-227 - exec0.480.40
miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+exec0.370.31
Loop 613 - TwoBodyJastrowRef.h:269-271 - exec+0.350.29
Loop 614 - BsplineFunctor.h:291-298 - exec0.340.28
Loop 616 - BsplineFunctor.h:305-336 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.310.26
Loop 1148 - inner_product.hpp:210-212 - exec+0.210.17
Loop 1150 - inner_product.hpp:210-212 - exec+0.210.17
Loop 1149 - inner_product.hpp:211-212 - exec0.210.17
Loop 1137 - DiracDeterminantRef.cpp:247-252 - exec+0.100.08
Loop 1139 - inner_product.hpp:155-155 - exec0.080.06
Loop 1138 - inner_product.hpp:82-83 - exec0.020.02
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.280.23
Loop 1125 - SPOSet.h:83-86 - exec+0.270.22
Loop 1126 - inner_product.hpp:82-83 - exec0.270.22
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.210.17
unknown_kernel_regionkernel0.170.14
mkl_lapack_xdlaswplibmkl_core.so.20.160.13
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+exec0.160.13
Loop 2888 - ParticleBConds3DSoa.h:237-255 - exec0.110.09
Loop 2889 - ParticleBConds3DSoa.h:237-255 - exec0.040.03
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.140.11
miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)+exec0.110.10
Loop 621 - TwoBodyJastrowRef.h:268-398 - exec+0.110.09
Loop 627 - TwoBodyJastrowRef.h:268-398 - exec+0.110.09
Loop 634 - TwoBodyJastrowRef.h:377-383 - exec+0.050.04
Loop 633 - TwoBodyJastrowRef.h:381-382 - exec0.050.04
Loop 625 - TwoBodyJastrowRef.h:269-271 - exec+0.040.03
Loop 639 - BsplineFunctor.h:291-298 - exec0.040.03
Loop 632 - TwoBodyJastrowRef.h:388-391 - exec0.010.01
Loop 630 - TwoBodyJastrowRef.h:388-398 - exec+0.010.01
Loop 631 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.100.09
Loop 1123 - inner_product.hpp:155-155 - exec0.050.04
Loop 1124 - inner_product.hpp:82-83 - exec0.050.04
main._omp_fn.1exec0.080.07
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
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.050.04
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.050.04
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.040.03
Loop 1182 - stl_algobase.h:262-1151 - exec+0.040.03
Loop 1185 - stl_algobase.h:939-940 - exec0.040.03
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.040.03
Loop 833 - OneBodyJastrowRef.h:184-194 - exec+0.030.02
Loop 832 - OneBodyJastrowRef.h:184-194 - exec+0.030.02
Loop 831 - OneBodyJastrowRef.h:184-194 - exec+0.030.02
Loop 830 - OneBodyJastrowRef.h:192-193 - exec0.030.02
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.030.02
Loop 252 - OneBodyJastrowRef.h:134-155 - exec+0.020.02
Loop 254 - OneBodyJastrowRef.h:143-146 - exec+0.020.02
Loop 255 - BsplineFunctor.h:236-241 - exec0.020.02
mkl_blas_dgemvlibmkl_sequential.so.20.020.02
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.02
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.020.02
gomp_team_barrier_wait_endlibgomp.so.1.0.00.020.02
__dynamic_castlibstdc++.so.6.0.330.020.01
qmcplusplus::TimerType::stop()exec0.020.01
f64xsubf128libm.so.60.020.01
miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particl...+exec0.020.01
Loop 369 - OneBodyJastrowRef.h:109-237 - exec+0.020.01
Loop 371 - OneBodyJastrowRef.h:184-194 - exec+0.020.01
Loop 370 - OneBodyJastrowRef.h:192-193 - exec0.020.01
__GI___libc_malloclibc.so.60.010.01
qmcplusplus::TimerType::start()exec0.010.01
qmcplusplus::ParticleSet::acceptMove(int)exec0.010.01
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.00
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