options

Profiling node o404 - process 186843 - thread 186843

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec26.9221.46
Loop 765 - MultiBsplineRef.hpp:42-71 - exec+26.8521.4
Loop 766 - MultiBsplineRef.hpp:63-71 - exec+26.8521.4
Loop 767 - MultiBsplineRef.hpp:64-71 - exec+26.8521.4
Loop 768 - MultiBsplineRef.hpp:68-70 - exec26.8521.4
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec17.6114.03
Loop 771 - MultiBsplineRef.hpp:187-286 - exec+15.5312.37
Loop 773 - MultiBsplineRef.hpp:226-262 - exec+15.112.03
Loop 774 - MultiBsplineRef.hpp:227-262 - exec+15.112.03
Loop 778 - MultiBsplineRef.hpp:242-262 - exec+15.112.03
Loop 780 - MultiBsplineRef.hpp:242-262 - exec8.466.74
Loop 779 - MultiBsplineRef.hpp:242-261 - exec6.645.29
Loop 772 - MultiBsplineRef.hpp:276-286 - exec0.430.34
Loop 769 - einspline_spo_ref.hpp:219-227 - exec+0.650.52
Loop 770 - einspline_spo_ref.hpp:223-227 - exec0.650.52
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.389.07
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.211.18.85
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec9.927.91
Loop 1986 - SoaDistanceTableABOMPTarget.h:214-228 - exec+9.917.89
Loop 1988 - SoaDistanceTableABOMPTarget.h:215-228 - exec+9.917.89
Loop 1987 - SoaDistanceTableABOMPTarget.h:228-228 - exec9.917.89
Loop 1989 - SoaDistanceTableABOMPTarget.h:194-196 - exec0.010
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec5.14.07
Loop 1742 - SoaDistanceTableAAOMPTarget.h:440-442 - exec5.094.06
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so2.11.67
__intel_avx_rep_memset+exec1.81.43
Loop 2280 - - exec1.030.82
qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const+exec1.691.34
Loop 274 - BsplineFunctor.h:236-241 - exec1.521.21
Loop 272 - BsplineFunctor.h:246-260 - exec0.140.11
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.631.3
Loop 1244 - ParticleBConds3DSoa.h:235-256 - exec1.621.29
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.291.02
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.21.050.84
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.830.66
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 - exec0.210.16
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.80.64
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.640.51
Loop 271 - BsplineFunctor.h:291-297 - exec0.520.41
Loop 269 - BsplineFunctor.h:303-338 - exec0.060.04
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 - exec0.460.36
Loop 887 - inner_product.hpp:82-83 - exec0.180.14
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.630.5
Loop 289 - TwoBodyJastrowRef.h:155-156 - exec0.180.14
Loop 287 - TwoBodyJastrowRef.h:155-156 - exec0.170.13
Loop 291 - TwoBodyJastrowRef.h:155-156 - exec0.140.11
Loop 293 - stl_numeric.h:126-127 - exec0.110.08
Loop 290 - TwoBodyJastrowRef.h:155-156 - exec0.010
unknown_functionUnknown module0.620.49
unknown_kernel_regionkernel0.510.41
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.430.34
Loop 872 - inner_product.hpp:155-155 - exec0.430.34
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.40.31
Loop 873 - inner_product.hpp:155-155 - exec0.280.22
Loop 876 - inner_product.hpp:82-83 - exec0.090.07
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.280.22
Loop 781 - inner_product.hpp:82-83 - exec+0.270.21
Loop 783 - inner_product.hpp:82-83 - exec0.270.21
__intel_avx_rep_memcpyexec0.180.14
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.160.13
Loop 304 - TwoBodyJastrowRef.h:268-420 - exec+0.180.11
Loop 305 - stl_algobase.h:200-754 - exec+0.180.11
Loop 306 - TwoBodyJastrowRef.h:393-398 - exec0.070.05
Loop 314 - TwoBodyJastrowRef.h:381-382 - exec0.030.02
Loop 316 - TwoBodyJastrowRef.h:375-376 - exec0.030.02
Loop 312 - TwoBodyJastrowRef.h:381-382 - exec0.020.01
Loop 310 - TwoBodyJastrowRef.h:381-382 - exec0.020.01
Loop 308 - TwoBodyJastrowRef.h:388-391 - exec0.010
mkl_lapack_xdlaswplibmkl_core.so.20.120.09
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.110.09
Loop 866 - inner_product.hpp:82-155 - exec+0.120.09
Loop 870 - inner_product.hpp:155-155 - exec0.090.07
Loop 868 - inner_product.hpp:82-83 - exec0.030.02
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.10.08
Loop 212 - OneBodyJastrowRef.h:186-187 - exec0.030.02
Loop 207 - OneBodyJastrowRef.h:192-193 - exec0.030.02
Loop 204 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 202 - stl_numeric.h:126-127 - exec0.010
Loop 208 - OneBodyJastrowRef.h:192-193 - exec0.010
unknown_function[vdso]0.10.08
MPIR_Progress_hook_exec_on_vcilibmpi.so.12.0.00.090.07
MPL_gpu_cuda_finalizelibmpi.so.12.0.00.090.07
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.080.06
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.070.05
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.070.05
Loop 851 - inner_product.hpp:210-212 - exec+0.070.05
Loop 852 - inner_product.hpp:210-212 - exec+0.070.05
Loop 853 - inner_product.hpp:210-212 - exec+0.070.05
Loop 854 - inner_product.hpp:211-212 - exec0.070.05
qmcplusplus::TimerType::start()exec0.060.05
__GI___pthread_mutex_locklibpthread-2.28.so0.060.05
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.060.04
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.060.04
Loop 51 - NonLocalPP.hpp:122-135 - exec+0.010
Loop 52 - NonLocalPP.hpp:126-135 - exec+0.010
Loop 53 - NonLocalPP.hpp:131-132 - exec0.010
__dynamic_castlibstdc++.so.6.0.250.050.04
__kmp_get_global_thread_id_reglibiomp5.so0.040.03
std::map, long, std::less >, std::allocator const, long> > >::operator[](qmcplusplus::StackKeyParam<2> const&)exec0.040.03
std::map, double, std::less >, std::allocator const, double> > >::operator[](qmcplusplus::StackKeyParam<2> const&)exec0.040.03
qmcplusplus::TimerType::stop()exec0.040.03
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.040.03
Loop 895 - stl_algobase.h:740-742 - exec0.040.03
__pthread_mutex_unlock_usercntlibpthread-2.28.so0.040.03
__libm_exp_z0exec0.040.03
__kmp_api_omp_get_levellibiomp5.so0.030.02
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.030.02
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.030.02
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.030.02
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.030.02
Loop 254 - stl_algobase.h:752-754 - exec0.030.02
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.030.02
inflate_fastlibmpi.so.12.0.00.030.02
uct_rc_mlx5_iface_progress_cycliclibuct_ib.so.0.0.00.030.02
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.01
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.020.01
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.020.01
MPIDI_OFI_get_bufferedlibmpi.so.12.0.00.020.01
ofi_cq_readfromlibmlx-fi.so0.020.01
qmcplusplus::TimerManager >::pop_timer(qmcplusplus::TimerType*)exec0.020.01
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constexec0.020.01
qmcplusplus::ParticleSet::acceptMove(int)+exec0.020.01
Loop 1103 - ParticleSet.cpp:389-390 - exec0.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.020.01
Loop 268 - OneBodyJastrowRef.h:214-219 - exec0.010.01
DGEMVlibmkl_intel_lp64.so.20.010.01
mkl_serv_intel_cpulibmkl_core.so.20.010.01
MPIDI_SHMI_progresslibmpi.so.12.0.00.010.01
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010.01
__libm_logl_exexec0.010.01
MPIDI_Progress_testlibmpi.so.12.0.00.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
kmp_flag_native::notdone_check()libiomp5.so0.010.01
qmcplusplus::RealSpacePositions::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)exec0.010.01
std::chrono::_V2::system_clock::now()libstdc++.so.6.0.250.010.01
adler32_zlibmpi.so.12.0.00.010.01
ucp_worker_progresslibucp.so.0.0.00.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.010.01
qmcplusplus::ParticleSet::update(bool)+exec0.010.01
Loop 1090 - ParticleSet.cpp:242-243 - exec0.010
__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.6.0.250.010.01
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
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.010.01
Loop 234 - OneBodyJastrowRef.h:109-194 - exec+0.010.01
Loop 236 - OneBodyJastrowRef.h:192-193 - exec0.010.01
__tls_get_addrld-2.28.so0.010.01
mkl_blas_xdgemvlibmkl_core.so.20.010
mkl_serv_get_num_stripeslibmkl_intel_thread.so.20.010
mkl_serv_domain_get_max_threadslibmkl_intel_thread.so.20.010
mkl_serv_lsamelibmkl_core.so.20.010
mkl_serv_cpu_detectlibmkl_core.so.20.010
mkl_blas_dgemv@pltlibmkl_intel_lp64.so.20.010
mkl_blas_avx512_d_generic_fullacopybcopylibmkl_avx512.so.20.010
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010
__kmp_yieldlibiomp5.so0.010
MPIDU_Init_shm_barrierlibmpi.so.12.0.00.010
mkl_blas_avx512_dgemv_n_intrinsics@pltlibmkl_avx512.so.20.010
__kmp_fork_calllibiomp5.so0.010
expexec0.010
MPID_Progress_waitlibmpi.so.12.0.00.010
qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)exec0.010
qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool)exec0.010
void qmcplusplus::expandSuperCell(qmcplusplus::ParticleSet&, qmcplusplus::Tensor const&)exec0.010
ofi_mutex_unlock_nooplibmlx-fi.so0.010
qmcplusplus::Vector > >::resize(unsigned long, double)+exec0.010
Loop 942 - stl_algobase.h:752-754 - exec0.010
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010
void qmcplusplus::DelayedUpdate::getInvRow > >(qmcplusplus::Matrix > const&, int, qmcplusplus::Vector >&)exec0.010
__GI___sched_yieldlibc-2.28.so0.010
qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone .extracted]exec0.010
search_cacheld-2.28.so0.010
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010
miniqmcreference::OneBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010
check_matchld-2.28.so0.010
qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)exec0.010
strcmpld-2.28.so0.010
.plt.sec@startlibiomp5.so0.010
.plt.sec@startlibnl-route-3.so.200.26.00.010
unknown_functionexec0.010
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec00
double std::uniform_real_distribution::operator() >(std::mersenne_twister_engineexec00
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