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Profiling node o404 - process 426573 - thread 426650

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec29.9623.42
Loop 870 - MultiBsplineRef.hpp:42-71 - exec+29.923.38
Loop 871 - MultiBsplineRef.hpp:63-71 - exec+29.923.38
Loop 872 - MultiBsplineRef.hpp:64-71 - exec+29.923.38
Loop 873 - MultiBsplineRef.hpp:68-70 - exec29.923.38
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.213.410.47
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.212.579.83
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec12.269.58
Loop 876 - MultiBsplineRef.hpp:187-286 - exec+11.158.71
Loop 878 - MultiBsplineRef.hpp:226-262 - exec+10.668.33
Loop 879 - MultiBsplineRef.hpp:227-262 - exec+10.668.33
Loop 880 - MultiBsplineRef.hpp:242-262 - exec10.668.33
Loop 877 - MultiBsplineRef.hpp:276-286 - exec0.490.38
Loop 874 - einspline_spo_ref.hpp:219-227 - exec+10.78
Loop 875 - einspline_spo_ref.hpp:223-227 - exec10.78
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec9.557.47
Loop 2088 - SoaDistanceTableABOMPTarget.h:214-228 - exec+9.517.43
Loop 2089 - SoaDistanceTableABOMPTarget.h:215-228 - exec+9.517.43
Loop 2090 - SoaDistanceTableABOMPTarget.h:228-228 - exec9.517.43
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec5.384.2
Loop 1864 - SoaDistanceTableAAOMPTarget.h:440-442 - exec5.374.19
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.821.42
Loop 1370 - ParticleBConds3DSoa.h:235-256 - exec1.771.38
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.71.33
__intel_avx_rep_memset+exec1.431.12
Loop 2345 - - exec0.790.62
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.31.02
Loop 389 - TwoBodyJastrowRef.h:107-132 - exec+1.260.98
Loop 390 - BsplineFunctor.h:229-260 - exec+1.260.98
Loop 393 - BsplineFunctor.h:236-241 - exec1.180.92
Loop 391 - BsplineFunctor.h:246-260 - exec0.080.06
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.160.9
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.21.060.82
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.950.74
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.880.68
Loop 357 - TwoBodyJastrowRef.h:342-347 - exec0.240.19
Loop 361 - TwoBodyJastrowRef.h:342-347 - exec0.220.18
Loop 359 - TwoBodyJastrowRef.h:342-347 - exec0.220.17
Loop 363 - TwoBodyJastrowRef.h:324-331 - exec0.170.14
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.710.56
Loop 351 - TwoBodyJastrowRef.h:155-156 - exec0.270.21
Loop 352 - TwoBodyJastrowRef.h:155-156 - exec0.240.19
Loop 350 - TwoBodyJastrowRef.h:155-156 - exec0.130.1
Loop 354 - stl_numeric.h:126-127 - exec0.060.05
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.70.55
Loop 992 - inner_product.hpp:82-155 - exec+0.70.54
Loop 994 - inner_product.hpp:155-155 - exec0.50.39
Loop 996 - inner_product.hpp:82-83 - exec0.20.15
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.690.54
Loop 332 - BsplineFunctor.h:291-297 - exec0.550.43
Loop 330 - BsplineFunctor.h:303-338 - exec0.10.07
unknown_functionUnknown module0.670.52
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.530.42
Loop 981 - inner_product.hpp:155-155 - exec0.510.4
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.420.33
Loop 982 - inner_product.hpp:155-155 - exec0.30.24
Loop 985 - inner_product.hpp:82-83 - exec0.080.07
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.360.28
Loop 881 - inner_product.hpp:82-83 - exec+0.360.28
Loop 883 - inner_product.hpp:82-83 - exec0.360.28
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.310.24
Loop 960 - inner_product.hpp:210-212 - exec+0.30.24
Loop 961 - inner_product.hpp:211-212 - exec0.150.12
Loop 962 - inner_product.hpp:211-212 - exec0.150.12
__intel_avx_rep_memcpyexec0.220.17
unknown_kernel_regionkernel0.220.17
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.180.14
Loop 368 - TwoBodyJastrowRef.h:268-420 - exec+0.170.15
Loop 370 - stl_algobase.h:752-754 - exec+0.170.15
Loop 381 - TwoBodyJastrowRef.h:381-382 - exec0.070.06
Loop 383 - TwoBodyJastrowRef.h:381-382 - exec0.040.04
Loop 379 - TwoBodyJastrowRef.h:381-382 - exec0.030.02
Loop 377 - TwoBodyJastrowRef.h:388-391 - exec0.010.01
Loop 385 - TwoBodyJastrowRef.h:375-376 - exec0.010.01
Loop 374 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.130.11
mkl_lapack_xdlaswplibmkl_core.so.20.120.09
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.110.09
Loop 75 - NonLocalPP.hpp:122-135 - exec+0.020.02
Loop 76 - NonLocalPP.hpp:126-135 - exec+0.020.02
Loop 77 - NonLocalPP.hpp:131-132 - exec0.020.02
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.10.08
Loop 975 - inner_product.hpp:82-155 - exec+0.10.08
Loop 979 - inner_product.hpp:155-155 - exec0.080.06
Loop 977 - inner_product.hpp:82-83 - exec0.020.02
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.090.07
Loop 303 - OneBodyJastrowRef.h:134-155 - exec+0.060.05
Loop 305 - BsplineFunctor.h:229-260 - exec+0.060.05
Loop 308 - BsplineFunctor.h:236-241 - exec0.060.05
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.070.06
__kmp_api_omp_get_levellibiomp5.so0.070.06
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.070.06
Loop 268 - OneBodyJastrowRef.h:186-187 - exec0.030.03
Loop 265 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 264 - OneBodyJastrowRef.h:192-193 - exec0.010
__dynamic_castlibstdc++.so.6.0.250.060.05
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.060.05
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.040.03
__libm_exp_z0exec0.040.03
_dl_update_slotinfold-2.28.so0.040.03
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.030.03
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.030.03
Loop 1004 - stl_algobase.h:740-742 - exec0.030.03
__cxxabiv1::__vmi_class_type_info::__do_dyncast(long, __cxxabiv1::__class_type_info::__sub_kind, __cxxabiv1::__class_type_info const*, void const*, __cxxabiv1::__class_type_info const*, void const*, __cxxabiv1::__class_type_info::__dyncast_result&) constlibstdc++.so.6.0.250.030.03
qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool)exec0.030.02
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.030.02
Loop 313 - stl_algobase.h:752-754 - exec0.030.02
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.02
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.020.02
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.020.02
qmcplusplus::TimerType::start()exec0.020.02
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.020.02
qmcplusplus::Vector > >::resize(unsigned long, double)+exec0.020.02
Loop 1058 - stl_algobase.h:752-754 - exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.020.02
Loop 290 - OneBodyJastrowRef.h:109-194 - exec+0.020.01
Loop 297 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 296 - OneBodyJastrowRef.h:192-193 - exec0.010
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.020.02
Loop 102 - WaveFunction.cpp:198-201 - exec0.020.02
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.020.02
Loop 101 - WaveFunction.cpp:185-188 - exec0.020.02
mkl_blas_xdgemvlibmkl_core.so.20.010.01
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.010.01
__kmp_get_global_thread_id_reglibiomp5.so0.010.01
__kmp_api_omp_in_parallellibiomp5.so0.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.01
kmp_flag_native::notdone_check()libiomp5.so0.010.01
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
qmcplusplus::TimerType::stop()exec0.010.01
qmcplusplus::ParticleSet::update(bool)+exec0.010.01
Loop 1225 - ParticleSet.cpp:242-243 - exec0.010
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.010.01
Loop 108 - WaveFunction.cpp:263-274 - exec+0.010
Loop 110 - WaveFunction.cpp:273-274 - exec0.010
__tls_get_addrld-2.28.so0.010.01
unknown_functionexec0.010.01
mkl_blas_dgemmlibmkl_intel_thread.so.20.010
DGEMVlibmkl_intel_lp64.so.20.010
mkl_serv_cpu_detectlibmkl_core.so.20.010
mkl_blas_avx512_xdswaplibmkl_avx512.so.20.010
mkl_blas_avx512_dgemm_ker0libmkl_avx512.so.20.010
mkl_blas_avx512_dgemv_n_intrinsics@pltlibmkl_avx512.so.20.010
qmcplusplus::RealSpacePositionsOMPTarget::setOneParticlePos(qmcplusplus::TinyVector const&, unsigned long)exec0.010
qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)exec0.010
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.010
Loop 329 - OneBodyJastrowRef.h:214-219 - exec0.010
__tls_get_addr_slowld-2.28.so0.010
miniqmcreference::OneBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010
qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010
main.extracted.110+exec0.010
Loop 24 - new_allocator.h:101-125 - exec+0.010
Loop 35 - StdRandom.h:102-103 - exec+0.010
Loop 36 - miniqmc.cpp:429-458 - exec0.010
_intel_fast_memsetexec00
update_get_addrld-2.28.so00
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