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Profiling MPI #2.25 - node isix03.benchmarkcenter.megware.com - process 19944 - thread 20256

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec20.2717.33
Loop 917 - MultiBsplineRef.hpp:42-71 - exec+20.2517.32
Loop 918 - MultiBsplineRef.hpp:63-71 - exec+20.2517.32
Loop 919 - MultiBsplineRef.hpp:64-71 - exec+20.2517.32
Loop 920 - MultiBsplineRef.hpp:68-70 - exec20.2517.32
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.218.6815.98
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec15.5713.32
Loop 1944 - SoaDistanceTableAAOMPTarget.h:440-442 - exec15.5513.30
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.8710.15
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec11.229.60
Loop 923 - MultiBsplineRef.hpp:187-286 - exec+10.549.02
Loop 925 - MultiBsplineRef.hpp:226-262 - exec+10.288.79
Loop 926 - MultiBsplineRef.hpp:227-262 - exec+10.288.79
Loop 927 - MultiBsplineRef.hpp:242-262 - exec10.288.79
Loop 924 - MultiBsplineRef.hpp:276-286 - exec0.270.23
Loop 921 - einspline_spo_ref.hpp:219-227 - exec+0.650.55
Loop 922 - einspline_spo_ref.hpp:223-227 - exec0.650.55
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec6.975.96
Loop 2202 - SoaDistanceTableABOMPTarget.h:214-228 - exec+6.965.95
Loop 2203 - SoaDistanceTableABOMPTarget.h:215-228 - exec+6.965.95
Loop 2204 - SoaDistanceTableABOMPTarget.h:228-228 - exec6.965.95
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec2.051.75
Loop 404 - TwoBodyJastrowRef.h:107-132 - exec+2.031.73
Loop 405 - BsplineFunctor.h:236-260 - exec+2.031.73
Loop 408 - BsplineFunctor.h:236-241 - exec1.921.64
Loop 406 - BsplineFunctor.h:246-260 - exec0.110.09
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.601.37
Loop 1399 - ParticleBConds3DSoa.h:235-256 - exec1.591.36
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.321.12
__intel_avx_rep_memset+exec1.291.10
Loop 2471 - - exec0.770.66
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.281.10
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.020.88
Loop 376 - TwoBodyJastrowRef.h:342-347 - exec0.330.28
Loop 372 - TwoBodyJastrowRef.h:342-347 - exec0.290.24
Loop 374 - TwoBodyJastrowRef.h:342-347 - exec0.190.17
Loop 378 - TwoBodyJastrowRef.h:324-331 - exec0.180.15
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.910.77
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 - exec0.570.48
Loop 1044 - inner_product.hpp:82-83 - exec0.210.18
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so0.650.56
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.620.53
Loop 1029 - inner_product.hpp:155-155 - exec0.620.53
__memcpy_avx512_unaligned_ermslibc.so.60.600.51
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.530.45
Loop 348 - BsplineFunctor.h:291-297 - exec0.430.37
Loop 346 - BsplineFunctor.h:303-338 - exec0.060.05
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.410.35
Loop 366 - TwoBodyJastrowRef.h:155-156 - exec0.150.13
Loop 365 - TwoBodyJastrowRef.h:155-156 - exec0.140.12
Loop 367 - TwoBodyJastrowRef.h:155-156 - exec0.090.08
Loop 369 - stl_numeric.h:140-141 - exec0.010.01
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.350.30
Loop 928 - inner_product.hpp:82-83 - exec+0.340.29
Loop 930 - inner_product.hpp:82-83 - exec0.340.29
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.230.19
Loop 1006 - inner_product.hpp:210-212 - exec+0.230.19
Loop 1008 - inner_product.hpp:211-212 - exec0.130.11
Loop 1007 - inner_product.hpp:211-212 - exec0.100.09
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.200.17
Loop 1030 - inner_product.hpp:155-155 - exec0.130.12
Loop 1033 - inner_product.hpp:82-83 - exec0.060.05
__intel_avx_rep_memcpyexec0.180.15
unknown_kernel_regionkernel0.150.13
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.150.13
mkl_lapack_xdlaswplibmkl_core.so.20.140.12
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.130.11
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.110.09
Loop 1024 - inner_product.hpp:82-155 - exec+0.110.09
Loop 1027 - inner_product.hpp:155-155 - exec0.080.06
Loop 1025 - inner_product.hpp:82-83 - exec0.030.03
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.090.08
Loop 383 - TwoBodyJastrowRef.h:268-420 - exec+0.090.07
Loop 384 - TwoBodyJastrowRef.h:268-420 - exec+0.090.07
Loop 390 - TwoBodyJastrowRef.h:397-398 - exec0.020.01
Loop 394 - TwoBodyJastrowRef.h:381-382 - exec0.020.01
Loop 396 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 398 - TwoBodyJastrowRef.h:381-382 - exec0.010.01
Loop 389 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
Loop 400 - TwoBodyJastrowRef.h:375-376 - exec0.010.00
Loop 392 - TwoBodyJastrowRef.h:388-391 - exec0.010.00
Loop 391 - TwoBodyJastrowRef.h:397-398 - exec0.010.00
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.060.05
Loop 323 - OneBodyJastrowRef.h:134-155 - exec+0.060.05
Loop 325 - OneBodyJastrowRef.h:134-146 - exec+0.060.05
Loop 328 - BsplineFunctor.h:236-241 - exec0.060.05
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.060.05
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
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.050.04
__kmp_get_global_thread_id_reglibiomp5.so0.040.04
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.040.03
Loop 285 - OneBodyJastrowRef.h:192-193 - exec0.020.01
Loop 288 - OneBodyJastrowRef.h:186-187 - exec0.010.00
Loop 283 - OneBodyJastrowRef.h:192-193 - exec0.010.00
Loop 278 - stl_numeric.h:140-141 - exec0.010.00
qmcplusplus::TimerType::stop()+exec0.040.03
Loop 1632 - NewTimer.cpp:99-100 - exec0.010.00
qmcplusplus::TimerType::start()exec0.040.03
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.030.03
Loop 1052 - stl_algobase.h:911-912 - exec0.030.03
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.020.02
qmcplusplus::ParticleSet::update(bool)exec0.020.02
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.02
Loop 333 - stl_algobase.h:923-924 - exec0.020.02
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.020.01
__libm_exp_z0exec0.020.01
__kmp_api_omp_get_ancestor_thread_numlibiomp5.so0.020.01
mm_cleanup_thread_cbklibmkl_core.so.20.010.01
__GI___libc_freelibc.so.60.010.01
kmp_flag_native::notdone_check()libiomp5.so0.010.01
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010.01
__tls_get_addrld-linux-x86-64.so.20.010.01
__dynamic_castlibstdc++.so.6.0.290.010.01
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)exec0.010.01
__kmp_api_omp_get_levellibiomp5.so0.010.00
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.010.00
Loop 310 - OneBodyJastrowRef.h:109-194 - exec+0.010.00
Loop 317 - OneBodyJastrowRef.h:192-193 - exec0.010.00
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