options

Profiling node o404 - process 186843 - thread 187032

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec27.121.47
Loop 765 - MultiBsplineRef.hpp:42-71 - exec+27.0621.43
Loop 766 - MultiBsplineRef.hpp:63-71 - exec+27.0621.43
Loop 767 - MultiBsplineRef.hpp:64-71 - exec+27.0621.43
Loop 768 - MultiBsplineRef.hpp:68-70 - exec27.0621.43
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec17.1913.62
Loop 771 - MultiBsplineRef.hpp:187-286 - exec+14.7611.68
Loop 773 - MultiBsplineRef.hpp:226-262 - exec+14.4411.43
Loop 774 - MultiBsplineRef.hpp:227-262 - exec+14.4411.43
Loop 778 - MultiBsplineRef.hpp:242-262 - exec+14.4411.43
Loop 780 - MultiBsplineRef.hpp:242-262 - exec7.535.96
Loop 779 - MultiBsplineRef.hpp:242-261 - exec6.915.47
Loop 772 - MultiBsplineRef.hpp:276-286 - exec0.320.25
Loop 769 - einspline_spo_ref.hpp:219-227 - exec+0.680.53
Loop 770 - einspline_spo_ref.hpp:223-227 - exec0.680.53
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.859.38
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.211.479.09
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec9.957.88
Loop 1986 - SoaDistanceTableABOMPTarget.h:214-228 - exec+9.937.86
Loop 1988 - SoaDistanceTableABOMPTarget.h:215-228 - exec+9.937.86
Loop 1987 - SoaDistanceTableABOMPTarget.h:228-228 - exec9.937.86
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec5.033.98
Loop 1742 - SoaDistanceTableAAOMPTarget.h:440-442 - exec5.023.97
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.891.49
qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const+exec1.711.35
Loop 274 - BsplineFunctor.h:236-241 - exec1.571.24
Loop 272 - BsplineFunctor.h:246-260 - exec0.130.1
__intel_avx_rep_memset+exec1.661.31
Loop 2280 - - exec1.020.81
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.571.24
Loop 1244 - ParticleBConds3DSoa.h:235-256 - exec1.551.23
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.471.16
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.890.7
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.840.66
Loop 295 - TwoBodyJastrowRef.h:324-349 - exec+0.60.47
Loop 297 - TwoBodyJastrowRef.h:342-347 - exec0.60.47
Loop 299 - TwoBodyJastrowRef.h:324-331 - exec0.220.17
unknown_functionUnknown module0.810.64
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.730.58
unknown_kernel_regionkernel0.680.53
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.660.52
Loop 289 - TwoBodyJastrowRef.h:155-156 - exec0.180.14
Loop 291 - TwoBodyJastrowRef.h:155-156 - exec0.180.14
Loop 287 - TwoBodyJastrowRef.h:155-156 - exec0.130.1
Loop 293 - stl_numeric.h:126-127 - exec0.10.08
Loop 294 - TwoBodyJastrowRef.h:269-274 - exec0.010
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.640.51
Loop 883 - inner_product.hpp:82-155 - exec+0.640.5
Loop 885 - inner_product.hpp:155-155 - exec0.410.32
Loop 887 - inner_product.hpp:82-83 - exec0.230.18
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.610.48
Loop 271 - BsplineFunctor.h:291-297 - exec0.490.38
Loop 269 - BsplineFunctor.h:303-338 - exec0.090.07
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.430.34
Loop 872 - inner_product.hpp:155-155 - exec0.420.33
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.370.29
Loop 873 - inner_product.hpp:155-155 - exec0.280.22
Loop 876 - inner_product.hpp:82-83 - exec0.060.05
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.330.26
Loop 781 - inner_product.hpp:82-83 - exec+0.320.24
Loop 783 - inner_product.hpp:82-83 - exec0.310.24
Loop 782 - inner_product.hpp:82-83 - exec0.010
__intel_avx_rep_memcpyexec0.210.17
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.180.14
Loop 304 - TwoBodyJastrowRef.h:268-420 - exec+0.180.12
Loop 305 - stl_algobase.h:200-754 - exec+0.180.12
Loop 306 - TwoBodyJastrowRef.h:393-398 - exec0.060.05
Loop 310 - TwoBodyJastrowRef.h:381-382 - exec0.030.02
Loop 314 - TwoBodyJastrowRef.h:381-382 - exec0.030.02
Loop 312 - TwoBodyJastrowRef.h:381-382 - exec0.030.02
Loop 318 - stl_numeric.h:126-127 - exec0.010.01
Loop 308 - TwoBodyJastrowRef.h:388-391 - exec0.010
Loop 316 - TwoBodyJastrowRef.h:375-376 - exec0.010
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.150.11
Loop 212 - OneBodyJastrowRef.h:186-187 - exec0.030.02
Loop 207 - OneBodyJastrowRef.h:192-193 - exec0.020.01
Loop 202 - stl_numeric.h:126-127 - exec0.020.01
Loop 208 - OneBodyJastrowRef.h:192-193 - exec0.020.01
Loop 204 - OneBodyJastrowRef.h:192-193 - exec0.010.01
mkl_lapack_xdlaswplibmkl_core.so.20.130.1
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.130.1
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)exec0.120.09
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.10.08
Loop 866 - inner_product.hpp:82-155 - exec+0.10.08
Loop 870 - inner_product.hpp:155-155 - exec0.090.07
Loop 868 - inner_product.hpp:82-83 - exec0.010.01
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.080.06
Loop 851 - inner_product.hpp:210-212 - exec+0.080.06
Loop 852 - inner_product.hpp:210-212 - exec+0.080.06
Loop 853 - inner_product.hpp:210-212 - exec+0.080.06
Loop 854 - inner_product.hpp:211-212 - exec0.080.06
__libm_exp_z0exec0.070.05
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.060.04
kmp_flag_native::notdone_check()libiomp5.so0.050.04
__dynamic_castlibstdc++.so.6.0.250.050.04
__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.6.0.250.040.03
__kmp_api_omp_get_levellibiomp5.so0.040.03
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.040.03
Loop 83 - WaveFunction.cpp:263-274 - exec+0.010
Loop 85 - WaveFunction.cpp:273-274 - exec0.010
__kmp_get_global_thread_id_reglibiomp5.so0.030.02
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.030.02
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.030.02
qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.030.02
Loop 79 - WaveFunction.cpp:225-228 - exec0.010
mkl_blas_dgemvlibmkl_intel_thread.so.20.030.02
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.030.02
qmcplusplus::TimerType::stop()exec0.030.02
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.030.02
Loop 895 - stl_algobase.h:740-742 - exec0.030.02
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.030.02
Loop 234 - OneBodyJastrowRef.h:109-194 - exec+0.030.01
Loop 240 - OneBodyJastrowRef.h:192-193 - exec0.020.01
Loop 244 - OneBodyJastrowRef.h:186-187 - exec0.010
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.01
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.020.01
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.020.01
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.01
Loop 254 - stl_algobase.h:752-754 - exec0.020.01
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.020.01
main.extracted.110+exec0.020.01
Loop 24 - new_allocator.h:101-125 - exec+0.020.01
Loop 27 - miniqmc.cpp:425-461 - exec+0.020.01
Loop 28 - miniqmc.cpp:429-458 - exec0.020.01
DGEMVlibmkl_intel_lp64.so.20.010.01
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.010.01
__kmp_get_ancestor_thread_numlibiomp5.so0.010.01
qmcplusplus::TimerType::start()exec0.010.01
qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool)exec0.010.01
qmcplusplus::ParticleSet::update(bool)+exec0.010.01
Loop 1090 - ParticleSet.cpp:242-243 - exec0.010.01
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
update_get_addrld-2.28.so0.010.01
_dl_update_slotinfold-2.28.so0.010.01
double std::uniform_real_distribution::operator() >(std::mersenne_twister_engineexec0.010.01
__tls_get_addrld-2.28.so0.010.01
.plt.sec@startlibiomp5.so0.010.01
mkl_serv_lsamelibmkl_core.so.20.010
mkl_set_xerbla_interfacelibmkl_intel_lp64.so.20.010
getPointer_notranslibmkl_avx512.so.20.010
mkl_blas_avx512_damaxlibmkl_avx512.so.20.010
mkl_blas_avx512_d_generic_fullacopybcopylibmkl_avx512.so.20.010
mkl_blas_avx512_dgemm_initialize_bufferslibmkl_avx512.so.20.010
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010
mkl_blas_avx512_dgemv_n_intrinsics@pltlibmkl_avx512.so.20.010
__kmp_fork_calllibiomp5.so0.010
__kmp_api_omp_get_ancestor_thread_numlibiomp5.so0.010
__libm_logl_exexec0.010
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constexec0.010
qmcplusplus::ParticleSet::rejectMove(int)exec0.010
qmcplusplus::ParticleSet::acceptMove(int)+exec0.010
Loop 1103 - ParticleSet.cpp:389-390 - exec0.010
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010
qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone .extracted]exec0.010
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.010
Loop 268 - OneBodyJastrowRef.h:214-219 - exec0.010
__tls_get_addr_slowld-2.28.so0.010
qmcplusplus::WaveFunction::restore(int)exec0.010
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.010
Loop 77 - WaveFunction.cpp:198-201 - exec0.010
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010
.plt.sec@startlibstdc++.so.6.0.250.010
unknown_functionexec0.010
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec00
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