options

Profiling MPI #1.25 - node isix03.benchmarkcenter.megware.com - process 59248 - thread 59526

NameModuleCoverage (%)Time (s)
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.219.7116.63
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec19.3316.31
Loop 921 - MultiBsplineRef.hpp:42-71 - exec+19.3116.30
Loop 922 - MultiBsplineRef.hpp:63-71 - exec+19.3116.30
Loop 923 - MultiBsplineRef.hpp:64-71 - exec+19.3116.30
Loop 924 - MultiBsplineRef.hpp:68-70 - exec19.3116.30
Loop 907 - einspline_spo_ref.hpp:183-187 - exec0.010.00
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec15.1912.82
Loop 1962 - SoaDistanceTableAAOMPTarget.h:440-442 - exec15.1912.82
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.779.93
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec10.919.20
Loop 927 - MultiBsplineRef.hpp:187-286 - exec+10.258.65
Loop 930 - MultiBsplineRef.hpp:226-262 - exec+10.108.52
Loop 931 - MultiBsplineRef.hpp:227-262 - exec+10.108.52
Loop 933 - MultiBsplineRef.hpp:242-262 - exec10.108.52
Loop 929 - MultiBsplineRef.hpp:276-286 - exec0.150.13
Loop 925 - einspline_spo_ref.hpp:219-227 - exec+0.630.53
Loop 926 - einspline_spo_ref.hpp:223-227 - exec0.630.53
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec7.646.44
Loop 2218 - SoaDistanceTableABOMPTarget.h:214-228 - exec+7.636.44
Loop 2219 - SoaDistanceTableABOMPTarget.h:215-228 - exec+7.636.44
Loop 2217 - SoaDistanceTableABOMPTarget.h:228-228 - exec7.636.44
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec2.011.70
Loop 405 - TwoBodyJastrowRef.h:107-132 - exec+1.981.67
Loop 406 - BsplineFunctor.h:236-260 - exec+1.981.67
Loop 410 - BsplineFunctor.h:236-241 - exec1.901.61
Loop 408 - BsplineFunctor.h:246-260 - exec0.080.07
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.771.49
Loop 1419 - ParticleBConds3DSoa.h:235-256 - exec1.761.48
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.541.30
__intel_avx_rep_memset+exec1.481.25
Loop 2501 - - exec0.900.76
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.291.09
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.870.73
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.830.70
Loop 383 - TwoBodyJastrowRef.h:324-331 - exec0.220.18
Loop 380 - TwoBodyJastrowRef.h:342-347 - exec0.220.18
Loop 376 - TwoBodyJastrowRef.h:342-347 - exec0.200.16
Loop 378 - TwoBodyJastrowRef.h:342-347 - exec0.160.14
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.780.65
Loop 1044 - inner_product.hpp:82-155 - exec+0.780.65
Loop 1046 - inner_product.hpp:155-155 - exec0.570.48
Loop 1048 - inner_product.hpp:82-83 - exec0.200.17
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so0.680.57
__memcpy_avx512_unaligned_ermslibc.so.60.600.51
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.590.50
Loop 1033 - inner_product.hpp:155-155 - exec0.590.49
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.540.45
Loop 351 - BsplineFunctor.h:291-297 - exec0.480.40
Loop 349 - BsplineFunctor.h:303-338 - exec0.020.02
Loop 348 - BsplineFunctor.h:303-335 - exec0.010.01
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.320.27
Loop 371 - TwoBodyJastrowRef.h:155-156 - exec0.150.13
Loop 370 - TwoBodyJastrowRef.h:155-156 - exec0.080.07
Loop 369 - TwoBodyJastrowRef.h:155-156 - exec0.050.04
Loop 373 - stl_numeric.h:140-141 - exec0.020.01
Loop 374 - TwoBodyJastrowRef.h:269-274 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.250.21
Loop 1034 - inner_product.hpp:155-155 - exec0.180.16
Loop 1037 - inner_product.hpp:82-83 - exec0.070.06
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.210.18
Loop 934 - inner_product.hpp:82-83 - exec+0.210.17
Loop 936 - inner_product.hpp:82-83 - exec0.210.17
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.180.15
__intel_avx_rep_memcpyexec0.150.13
unknown_kernel_regionkernel0.140.12
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.120.10
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.110.09
Loop 1009 - inner_product.hpp:210-212 - exec+0.110.09
Loop 1010 - inner_product.hpp:210-212 - exec+0.110.09
Loop 1011 - inner_product.hpp:211-212 - exec+0.110.09
Loop 1012 - inner_product.hpp:211-212 - exec0.110.09
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.100.09
Loop 388 - TwoBodyJastrowRef.h:268-420 - exec+0.100.09
Loop 389 - TwoBodyJastrowRef.h:268-420 - exec+0.100.09
Loop 395 - TwoBodyJastrowRef.h:381-382 - exec0.030.03
Loop 391 - TwoBodyJastrowRef.h:393-398 - exec0.030.03
Loop 393 - TwoBodyJastrowRef.h:388-391 - exec0.020.01
Loop 397 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 403 - stl_numeric.h:140-141 - exec0.010.00
Loop 399 - TwoBodyJastrowRef.h:381-382 - exec0.010.00
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.100.08
Loop 1028 - inner_product.hpp:82-155 - exec+0.100.08
Loop 1031 - inner_product.hpp:155-155 - exec0.090.08
Loop 1029 - inner_product.hpp:82-83 - exec0.010.00
mkl_lapack_xdlaswplibmkl_core.so.20.090.08
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.070.06
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.070.06
Loop 87 - NonLocalPP.hpp:122-135 - exec+0.010.00
Loop 88 - NonLocalPP.hpp:126-135 - exec+0.010.00
Loop 89 - NonLocalPP.hpp:131-132 - exec0.010.00
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.050.04
Loop 286 - OneBodyJastrowRef.h:192-193 - exec0.020.01
Loop 289 - OneBodyJastrowRef.h:186-187 - exec0.010.01
Loop 284 - OneBodyJastrowRef.h:192-193 - exec0.010.00
Loop 285 - OneBodyJastrowRef.h:192-193 - exec0.010.00
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.050.04
__libm_exp_z0exec0.040.04
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.040.03
Loop 324 - OneBodyJastrowRef.h:134-155 - exec+0.040.03
Loop 326 - OneBodyJastrowRef.h:134-146 - exec+0.040.03
Loop 330 - BsplineFunctor.h:236-241 - exec0.030.03
Loop 327 - BsplineFunctor.h:246-260 - exec0.010.00
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.040.03
Loop 1056 - stl_algobase.h:911-912 - exec0.040.03
qmcplusplus::TimerType::stop()exec0.030.03
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.020.02
__kmp_api_omp_get_levellibiomp5.so0.020.02
qmcplusplus::TimerType::start()exec0.020.02
__dynamic_castlibstdc++.so.6.0.290.020.02
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.02
Loop 335 - stl_algobase.h:923-924 - exec0.020.02
__kmp_get_global_thread_id_reglibiomp5.so0.020.01
mkl_blas_avx512_dgemm_copyanlibmkl_avx512.so.20.010.01
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
kmp_flag_native::notdone_check()libiomp5.so0.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.010.01
Loop 311 - OneBodyJastrowRef.h:109-194 - exec+0.010.01
Loop 317 - OneBodyJastrowRef.h:192-193 - exec0.010.01
main.extracted.107exec0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.00
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