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Profiling MPI #5.41 - node isix03.benchmarkcenter.megware.com - process 19946 - thread 20304

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec20.6617.63
Loop 917 - MultiBsplineRef.hpp:42-71 - exec+20.6317.61
Loop 918 - MultiBsplineRef.hpp:63-71 - exec+20.6317.61
Loop 919 - MultiBsplineRef.hpp:64-71 - exec+20.6317.61
Loop 920 - MultiBsplineRef.hpp:68-70 - exec20.6317.61
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.219.0316.25
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec15.4013.15
Loop 1944 - SoaDistanceTableAAOMPTarget.h:440-442 - exec15.4013.15
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.212.1110.34
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec10.749.17
Loop 923 - MultiBsplineRef.hpp:187-286 - exec+10.168.67
Loop 925 - MultiBsplineRef.hpp:226-262 - exec+9.948.48
Loop 926 - MultiBsplineRef.hpp:227-262 - exec+9.948.48
Loop 927 - MultiBsplineRef.hpp:242-262 - exec9.948.48
Loop 924 - MultiBsplineRef.hpp:276-286 - exec0.220.19
Loop 921 - einspline_spo_ref.hpp:219-227 - exec+0.560.48
Loop 922 - einspline_spo_ref.hpp:223-227 - exec0.560.48
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec6.805.80
Loop 2202 - SoaDistanceTableABOMPTarget.h:214-228 - exec+6.795.80
Loop 2203 - SoaDistanceTableABOMPTarget.h:215-228 - exec+6.795.80
Loop 2204 - SoaDistanceTableABOMPTarget.h:228-228 - exec6.795.80
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec2.141.82
Loop 404 - TwoBodyJastrowRef.h:107-132 - exec+2.131.81
Loop 405 - BsplineFunctor.h:236-260 - exec+2.131.81
Loop 408 - BsplineFunctor.h:236-241 - exec2.041.74
Loop 406 - BsplineFunctor.h:246-260 - exec0.080.07
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.531.31
Loop 1399 - ParticleBConds3DSoa.h:235-256 - exec1.531.31
__intel_avx_rep_memset+exec1.421.21
Loop 2471 - - exec0.880.75
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.351.15
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.231.05
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.000.85
Loop 374 - TwoBodyJastrowRef.h:342-347 - exec0.280.24
Loop 372 - TwoBodyJastrowRef.h:342-347 - exec0.260.22
Loop 376 - TwoBodyJastrowRef.h:342-347 - exec0.220.19
Loop 378 - TwoBodyJastrowRef.h:324-331 - exec0.220.18
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.780.67
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.780.66
Loop 1040 - inner_product.hpp:82-155 - exec+0.780.66
Loop 1042 - inner_product.hpp:155-155 - exec0.590.50
Loop 1044 - inner_product.hpp:82-83 - exec0.190.16
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so0.570.49
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.570.48
Loop 1029 - inner_product.hpp:155-155 - exec0.570.48
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.490.42
Loop 348 - BsplineFunctor.h:291-297 - exec0.430.37
Loop 346 - BsplineFunctor.h:303-338 - exec0.030.02
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.420.35
Loop 367 - TwoBodyJastrowRef.h:155-156 - exec0.140.12
Loop 365 - TwoBodyJastrowRef.h:155-156 - exec0.120.10
Loop 366 - TwoBodyJastrowRef.h:155-156 - exec0.100.08
Loop 369 - stl_numeric.h:140-141 - exec0.030.02
Loop 370 - TwoBodyJastrowRef.h:269-274 - exec0.010.00
__memcpy_avx512_unaligned_ermslibc.so.60.420.35
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.270.23
Loop 928 - inner_product.hpp:82-83 - exec+0.270.23
Loop 930 - inner_product.hpp:82-83 - exec0.270.23
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.250.21
Loop 1030 - inner_product.hpp:155-155 - exec0.160.14
Loop 1033 - inner_product.hpp:82-83 - exec0.090.07
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.250.21
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.250.21
Loop 1006 - inner_product.hpp:210-212 - exec+0.250.21
Loop 1008 - inner_product.hpp:211-212 - exec0.150.12
Loop 1007 - inner_product.hpp:211-212 - exec0.100.08
mkl_lapack_xdlaswplibmkl_core.so.20.180.15
unknown_kernel_regionkernel0.150.13
__intel_avx_rep_memcpyexec0.140.12
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.140.12
Loop 1024 - inner_product.hpp:82-155 - exec+0.140.12
Loop 1027 - inner_product.hpp:155-155 - exec0.120.10
Loop 1025 - inner_product.hpp:82-83 - exec0.020.01
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.100.08
Loop 383 - TwoBodyJastrowRef.h:268-420 - exec+0.100.08
Loop 384 - TwoBodyJastrowRef.h:268-420 - exec+0.100.08
Loop 400 - TwoBodyJastrowRef.h:375-376 - exec0.020.02
Loop 394 - TwoBodyJastrowRef.h:381-382 - exec0.020.02
Loop 396 - TwoBodyJastrowRef.h:381-382 - exec0.020.02
Loop 390 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
Loop 392 - TwoBodyJastrowRef.h:388-391 - exec0.010.01
Loop 398 - TwoBodyJastrowRef.h:381-382 - exec0.010.00
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.090.08
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.080.06
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.080.06
Loop 87 - NonLocalPP.hpp:122-135 - exec+0.020.01
Loop 88 - NonLocalPP.hpp:126-135 - exec+0.020.01
Loop 89 - NonLocalPP.hpp:131-132 - exec0.020.01
__kmp_get_global_thread_id_reglibiomp5.so0.050.04
qmcplusplus::TimerType::start()exec0.050.04
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.040.04
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.040.04
Loop 288 - OneBodyJastrowRef.h:186-187 - exec0.020.01
Loop 285 - OneBodyJastrowRef.h:192-193 - exec0.010.00
Loop 283 - OneBodyJastrowRef.h:192-193 - exec0.010.00
Loop 284 - OneBodyJastrowRef.h:192-193 - exec0.010.00
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.040.03
Loop 323 - OneBodyJastrowRef.h:134-155 - exec+0.040.03
Loop 325 - OneBodyJastrowRef.h:134-146 - exec+0.040.03
Loop 328 - BsplineFunctor.h:236-241 - exec0.040.03
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.030.02
Loop 1052 - stl_algobase.h:911-912 - exec0.030.02
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.030.02
kmp_flag_native::notdone_check()libiomp5.so0.020.02
qmcplusplus::TimerType::stop()exec0.020.02
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.02
Loop 333 - stl_algobase.h:923-924 - exec0.020.02
__libm_exp_z0exec0.020.01
__GI___libc_malloclibc.so.60.020.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.020.01
Loop 310 - OneBodyJastrowRef.h:109-194 - exec+0.020.01
Loop 316 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 315 - OneBodyJastrowRef.h:192-193 - exec0.010.00
__kmp_api_omp_get_ancestor_thread_numlibiomp5.so0.010.01
__kmp_api_omp_get_levellibiomp5.so0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::ParticleSet::update(bool)exec0.010.01
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010.01
__dynamic_castlibstdc++.so.6.0.290.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.010.00
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.00
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