options

Profiling MPI #4.8 - node gmz10.benchmarkcenter.megware.com - process 456943 - thread 457059

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec26.1142.86
Loop 932 - einspline_spo_ref.hpp:175-176 - exec+26.1042.84
Loop 934 - MultiBsplineRef.hpp:63-71 - exec+26.1042.84
Loop 933 - MultiBsplineRef.hpp:64-71 - exec+26.1042.84
Loop 935 - MultiBsplineRef.hpp:68-71 - exec26.1042.84
mkl_blas_def_dgemm_kernel_zenlibmkl_def.so.219.2131.53
mkl_blas_def_dgemm_pstlibmkl_def.so.217.2028.24
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+exec10.8017.72
Loop 1002 - MultiBsplineRef.hpp:226-262 - exec+10.6317.46
Loop 1001 - MultiBsplineRef.hpp:227-262 - exec+10.6317.46
Loop 1000 - MultiBsplineRef.hpp:242-262 - exec10.6317.46
Loop 999 - MultiBsplineRef.hpp:276-286 - exec0.150.25
mkl_blas_def_dgemm_copybn_bdzlibmkl_def.so.210.6517.48
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec4.437.27
Loop 3087 - SoaDistanceTableABOMPTarget.h:214-228 - exec+4.407.22
Loop 3086 - SoaDistanceTableABOMPTarget.h:215-228 - exec+4.407.22
Loop 3088 - SoaDistanceTableABOMPTarget.h:228-228 - exec4.407.22
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec2.223.65
Loop 2510 - SoaDistanceTableAAOMPTarget.h:440-442 - exec2.223.65
mkl_blas_def_xdgemvlibmkl_def.so.21.322.17
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.151.89
Loop 368 - TwoBodyJastrowRef.h:107-132 - exec+1.131.85
Loop 369 - TwoBodyJastrowRef.h:127-132 - exec+1.131.85
Loop 370 - BsplineFunctor.h:236-241 - exec1.071.76
Loop 371 - BsplineFunctor.h:246-260 - exec0.050.09
mkl_blas_def_dgemm_copyan_bdzlibmkl_def.so.20.861.41
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.821.35
Loop 603 - TwoBodyJastrowRef.h:334-355 - exec+0.590.97
Loop 605 - TwoBodyJastrowRef.h:342-347 - exec0.590.97
Loop 606 - TwoBodyJastrowRef.h:324-331 - exec0.230.37
__memcpy_avx512_unaligned_ermslibc.so.60.701.14
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+exec0.691.13
Loop 2623 - ParticleBConds3DSoa.h:237-255 - exec0.410.67
Loop 2624 - ParticleBConds3DSoa.h:237-255 - exec0.280.45
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.631.03
Loop 1109 - DiracDeterminantRef.cpp:173-178 - exec+0.631.03
Loop 1110 - inner_product.hpp:155-155 - exec0.400.65
Loop 1111 - inner_product.hpp:82-83 - exec0.230.38
__memset_avx512_unaligned_ermslibc.so.60.590.97
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.350.58
Loop 1106 - inner_product.hpp:155-155 - exec0.350.57
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec0.290.48
Loop 1003 - einspline_spo_ref.hpp:219-227 - exec+0.290.47
Loop 1004 - einspline_spo_ref.hpp:223-227 - exec0.290.47
Loop 1005 - einspline_spo_ref.hpp:206-207 - exec0.000.01
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.250.42
Loop 284 - TwoBodyJastrowRef.h:150-157 - exec+0.120.19
Loop 286 - TwoBodyJastrowRef.h:150-157 - exec+0.120.19
Loop 285 - TwoBodyJastrowRef.h:155-156 - exec0.120.19
Loop 288 - TwoBodyJastrowRef.h:269-271 - exec+0.100.17
Loop 289 - BsplineFunctor.h:291-298 - exec0.090.15
Loop 291 - BsplineFunctor.h:305-336 - exec0.010.02
Loop 287 - stl_numeric.h:140-141 - exec0.020.04
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.220.37
Loop 1127 - inner_product.hpp:210-212 - exec+0.140.23
Loop 1129 - inner_product.hpp:210-212 - exec+0.140.23
Loop 1128 - inner_product.hpp:211-212 - exec0.140.23
Loop 1116 - DiracDeterminantRef.cpp:247-252 - exec+0.080.13
Loop 1118 - inner_product.hpp:155-155 - exec0.070.12
Loop 1117 - inner_product.hpp:82-83 - exec0.010.01
qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec0.180.30
Loop 2595 - SoaDistanceTableAAOMPTarget.h:184-187 - exec+0.180.30
Loop 2596 - ParticleBConds3DSoa.h:237-255 - exec0.180.30
unknown_kernel_regionkernel0.140.23
mkl_blas_def_dtrsm_ilibmkl_def.so.20.130.22
miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+exec0.130.21
Loop 599 - TwoBodyJastrowRef.h:269-271 - exec+0.110.19
Loop 600 - BsplineFunctor.h:291-298 - exec0.110.18
Loop 602 - BsplineFunctor.h:305-336 - exec0.010.01
mkl_blas_def_dgemm_mscalelibmkl_def.so.20.110.17
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+exec0.100.16
Loop 2867 - ParticleBConds3DSoa.h:237-255 - exec0.080.13
Loop 2868 - ParticleBConds3DSoa.h:237-255 - exec0.020.03
mkl_blas_def_dgemm_copyat_bdzlibmkl_def.so.20.090.16
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.090.14
Loop 1104 - SPOSet.h:83-86 - exec+0.080.13
Loop 1105 - inner_product.hpp:82-83 - exec0.080.13
mkl_blas_def_dtrmml2x2_lunlibmkl_def.so.20.070.12
mkl_blas_def_dtrsml2x2_llnlibmkl_def.so.20.050.09
main._omp_fn.1+exec0.040.07
Loop 102 - alloc_traits.h:277-277 - exec+0.000.01
Loop 119 - new_allocator.h:88-172 - exec+0.000.01
Loop 141 - miniqmc.cpp:425-461 - exec+0.000.01
Loop 140 - miniqmc.cpp:429-458 - exec0.000.01
mkl_blas_def_xdswaplibmkl_def.so.20.040.06
miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)+exec0.040.06
Loop 607 - TwoBodyJastrowRef.h:268-398 - exec+0.040.06
Loop 613 - TwoBodyJastrowRef.h:268-398 - exec+0.040.06
Loop 621 - TwoBodyJastrowRef.h:377-383 - exec+0.020.03
Loop 620 - TwoBodyJastrowRef.h:381-382 - exec0.020.03
Loop 616 - TwoBodyJastrowRef.h:377-398 - exec+0.010.01
Loop 617 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
Loop 611 - TwoBodyJastrowRef.h:269-271 - exec+0.010.01
Loop 626 - BsplineFunctor.h:305-336 - exec0.010.01
Loop 622 - TwoBodyJastrowRef.h:375-376 - exec0.000.01
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.030.05
Loop 1161 - stl_algobase.h:262-1151 - exec+0.030.05
Loop 1164 - stl_algobase.h:939-940 - exec0.030.05
mkl_lapack_xdlaswplibmkl_core.so.20.030.05
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.030.04
Loop 1102 - inner_product.hpp:155-155 - exec0.020.04
Loop 1103 - inner_product.hpp:82-83 - exec0.010.01
gomp_team_barrier_wait_endlibgomp.so.1.0.00.020.04
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.020.04
Loop 252 - OneBodyJastrowRef.h:134-155 - exec+0.020.03
Loop 254 - OneBodyJastrowRef.h:143-146 - exec+0.020.03
Loop 255 - BsplineFunctor.h:236-241 - exec0.020.03
qmcplusplus::TimerType::start()exec0.020.02
mkl_lapack_dgetrilibmkl_core.so.20.010.02
f64xsubf128libm.so.60.010.02
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.010.02
Loop 813 - OneBodyJastrowRef.h:184-194 - exec+0.010.01
Loop 814 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 815 - OneBodyJastrowRef.h:186-187 - exec0.000.01
mkl_blas_dgemvlibmkl_sequential.so.20.010.01
qmcplusplus::TimerType::stop()exec0.010.01
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