options

Profiling node o404 - process 478294 - thread 478294

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec28.2922.82
Loop 846 - MultiBsplineRef.hpp:42-71 - exec+28.2422.78
Loop 847 - MultiBsplineRef.hpp:63-71 - exec+28.2422.78
Loop 848 - MultiBsplineRef.hpp:64-71 - exec+28.2422.78
Loop 849 - MultiBsplineRef.hpp:68-70 - exec28.2422.78
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec16.5813.38
Loop 852 - MultiBsplineRef.hpp:187-286 - exec+14.6611.82
Loop 854 - MultiBsplineRef.hpp:226-262 - exec+14.2911.52
Loop 855 - MultiBsplineRef.hpp:227-262 - exec+14.2911.52
Loop 859 - MultiBsplineRef.hpp:242-262 - exec+14.2911.52
Loop 861 - MultiBsplineRef.hpp:242-262 - exec9.217.43
Loop 860 - MultiBsplineRef.hpp:242-261 - exec5.084.09
Loop 853 - MultiBsplineRef.hpp:276-286 - exec0.370.3
Loop 850 - einspline_spo_ref.hpp:219-227 - exec+0.690.56
Loop 851 - einspline_spo_ref.hpp:223-227 - exec0.690.56
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.211.18.95
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.210.868.76
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec8.857.14
Loop 2083 - SoaDistanceTableABOMPTarget.h:214-228 - exec+8.817.11
Loop 2084 - SoaDistanceTableABOMPTarget.h:215-228 - exec+8.817.11
Loop 2082 - SoaDistanceTableABOMPTarget.h:228-228 - exec8.817.11
Loop 2085 - SoaDistanceTableABOMPTarget.h:194-196 - exec0.010
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec5.044.07
Loop 1852 - SoaDistanceTableAAOMPTarget.h:440-442 - exec5.044.07
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec1.981.59
Loop 1363 - ParticleBConds3DSoa.h:235-256 - exec1.971.59
__intel_avx_rep_memset+exec1.781.44
Loop 2352 - - exec1.070.86
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.621.31
Loop 384 - TwoBodyJastrowRef.h:107-132 - exec+1.61.29
Loop 385 - BsplineFunctor.h:229-260 - exec+1.61.29
Loop 388 - TwoBodyJastrowRef.h:107-107 - exec1.51.21
Loop 386 - BsplineFunctor.h:246-260 - exec0.10.08
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.541.24
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.411.14
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.920.74
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.820.66
Loop 363 - TwoBodyJastrowRef.h:324-331 - exec0.250.2
Loop 357 - TwoBodyJastrowRef.h:342-347 - exec0.210.17
Loop 359 - TwoBodyJastrowRef.h:342-347 - exec0.190.16
Loop 361 - TwoBodyJastrowRef.h:342-347 - exec0.120.1
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.750.6
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.680.55
Loop 971 - inner_product.hpp:82-155 - exec+0.670.54
Loop 973 - inner_product.hpp:155-155 - exec0.50.4
Loop 975 - inner_product.hpp:82-83 - exec0.170.14
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.680.54
Loop 332 - BsplineFunctor.h:291-297 - exec0.580.47
Loop 330 - BsplineFunctor.h:303-338 - exec0.040.03
unknown_functionUnknown module0.660.53
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.580.47
Loop 350 - TwoBodyJastrowRef.h:155-156 - exec0.170.14
Loop 351 - TwoBodyJastrowRef.h:155-156 - exec0.150.12
Loop 352 - TwoBodyJastrowRef.h:155-156 - exec0.140.11
Loop 354 - stl_numeric.h:126-127 - exec0.060.05
Loop 355 - TwoBodyJastrowRef.h:269-274 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.50.4
Loop 960 - inner_product.hpp:155-155 - exec0.490.39
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.370.3
Loop 961 - inner_product.hpp:155-155 - exec0.270.22
Loop 964 - inner_product.hpp:82-83 - exec0.090.08
MPL_gpu_cuda_finalizelibmpi.so.12.0.00.360.29
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.350.28
Loop 862 - inner_product.hpp:82-83 - exec+0.350.28
Loop 864 - inner_product.hpp:82-83 - exec0.350.28
unknown_kernel_regionkernel0.240.19
MPIR_Progress_hook_exec_on_vcilibmpi.so.12.0.00.240.19
__GI___pthread_mutex_locklibpthread-2.28.so0.230.19
__pthread_mutex_unlock_usercntlibpthread-2.28.so0.220.17
uct_ud_mlx5_iface_progresslibuct_ib.so.0.0.00.190.16
__intel_avx_rep_memcpyexec0.190.15
pthread_spin_locklibpthread-2.28.so0.170.13
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.140.11
Loop 368 - TwoBodyJastrowRef.h:268-420 - exec+0.130.1
Loop 369 - stl_algobase.h:200-754 - exec+0.130.1
Loop 374 - TwoBodyJastrowRef.h:381-382 - exec0.050.04
Loop 370 - TwoBodyJastrowRef.h:393-398 - exec0.020.02
Loop 376 - TwoBodyJastrowRef.h:381-382 - exec0.020.01
Loop 378 - TwoBodyJastrowRef.h:381-382 - exec0.020.01
Loop 380 - TwoBodyJastrowRef.h:375-376 - exec0.010.01
Loop 382 - stl_numeric.h:126-127 - exec0.010.01
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.120.1
Loop 75 - NonLocalPP.hpp:122-135 - exec+0.020.01
Loop 76 - NonLocalPP.hpp:126-135 - exec+0.020.01
Loop 77 - NonLocalPP.hpp:131-132 - exec0.020.01
mkl_lapack_xdlaswplibmkl_core.so.20.120.09
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.110.09
Loop 954 - inner_product.hpp:82-155 - exec+0.110.09
Loop 958 - inner_product.hpp:155-155 - exec0.090.08
Loop 956 - inner_product.hpp:82-83 - exec0.020.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.110.08
uct_rc_mlx5_iface_progress_cycliclibuct_ib.so.0.0.00.10.08
std::map, double, std::less >, std::allocator const, double> > >::operator[](qmcplusplus::StackKeyParam<2> const&)exec0.090.08
MPIDI_Progress_testlibmpi.so.12.0.00.090.07
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.080.06
__dynamic_castlibstdc++.so.6.0.250.080.06
MPIDI_OFI_get_bufferedlibmpi.so.12.0.00.070.06
ofi_cq_progresslibmlx-fi.so0.070.06
unknown_function[vdso]0.070.06
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.070.05
Loop 264 - OneBodyJastrowRef.h:192-193 - exec0.030.03
Loop 263 - OneBodyJastrowRef.h:192-193 - exec0.020.01
Loop 265 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 257 - OneBodyJastrowRef.h:0-0 - exec0.010
MPIDI_OFI_progresslibmpi.so.12.0.00.060.05
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.060.05
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.060.05
Loop 938 - inner_product.hpp:210-212 - exec+0.060.04
Loop 939 - inner_product.hpp:210-212 - exec+0.060.04
Loop 940 - inner_product.hpp:210-212 - exec+0.060.04
Loop 941 - inner_product.hpp:211-212 - exec0.060.04
__libm_exp_z0exec0.060.04
__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.6.0.250.060.04
qmcplusplus::TimerType::stop()exec0.050.04
qmcplusplus::TimerType::start()exec0.050.04
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.050.04
Loop 303 - OneBodyJastrowRef.h:134-155 - exec+0.020.02
Loop 305 - BsplineFunctor.h:229-260 - exec+0.020.02
Loop 308 - OneBodyJastrowRef.h:134-134 - exec0.020.02
.plt.sec@startlibuct_ib.so.0.0.00.050.04
MPID_Progress_waitlibmpi.so.12.0.00.040.04
mlx_ep_progresslibmlx-fi.so0.040.04
ucp_worker_progresslibucp.so.0.0.00.040.03
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.040.03
MPIDI_SHMI_progresslibmpi.so.12.0.00.030.03
__kmp_api_omp_get_levellibiomp5.so0.030.03
ofi_cq_readfromlibmlx-fi.so0.030.03
__kmp_get_global_thread_id_reglibiomp5.so0.020.02
qmcplusplus::TimerManager >::push_timer(qmcplusplus::TimerType*)exec0.020.02
ofi_mutex_unlock_nooplibmlx-fi.so0.020.02
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.020.02
Loop 101 - WaveFunction.cpp:185-188 - exec0.020.02
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.020.01
kmp_flag_native::notdone_check()libiomp5.so0.020.01
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.020.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.020.01
__GI___pthread_mutex_unlocklibpthread-2.28.so0.020.01
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.01
Loop 313 - stl_algobase.h:752-754 - exec0.020.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.020.01
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::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.020.01
__tls_get_addrld-2.28.so0.020.01
mkl_blas_dgemmlibmkl_intel_thread.so.20.010.01
DGEMVlibmkl_intel_lp64.so.20.010.01
mkl_blas_dgemvlibmkl_intel_thread.so.20.010.01
mkl_serv_lsamelibmkl_core.so.20.010.01
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.010.01
mkl_blas_avx512_xdscallibmkl_avx512.so.20.010.01
MPID_Progress_completion_count_getlibmpi.so.12.0.00.010.01
inflate_fastlibmpi.so.12.0.00.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.010.01
std::map, long, std::less >, std::allocator const, long> > >::operator[](qmcplusplus::StackKeyParam<2> const&)exec0.010.01
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.010.01
Loop 983 - stl_algobase.h:740-742 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.010.01
Loop 967 - DelayedUpdate.h:137-138 - exec0.010
update_get_addrld-2.28.so0.010.01
_dl_update_slotinfold-2.28.so0.010.01
miniqmcreference::OneBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010.01
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.010.01
Loop 102 - WaveFunction.cpp:198-201 - exec0.010
mkl_blas_xdgerlibmkl_core.so.20.010
mkl_blas_xdgemvlibmkl_core.so.20.010
mkl_serv_get_dynamiclibmkl_intel_thread.so.20.010
mkl_serv_domain_get_max_threads@pltlibmkl_intel_thread.so.20.010
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010
__kmp_hardware_timestamplibiomp5.so0.010
MPIDU_Init_shm_barrierlibmpi.so.12.0.00.010
impi_shm_heap_progresslibmpi.so.12.0.00.010
__kmp_get_ancestor_thread_numlibiomp5.so0.010
__kmp_api_omp_in_parallellibiomp5.so0.010
__libm_log_l9exec0.010
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010
ofi_cq_readlibmlx-fi.so0.010
qmcplusplus::TimerManager >::pop_timer(qmcplusplus::TimerType*)exec0.010
adler32_zlibmpi.so.12.0.00.010
qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)exec0.010
qmcplusplus::ParticleSet::acceptMove(int)exec0.010
qmcplusplus::ParticleSet::computeNewPosDistTables(int, qmcplusplus::TinyVector const&, bool)exec0.010
qmcplusplus::ParticleSet::getDistTableAB(int) constexec0.010
ofi_mutex_lock_nooplibmlx-fi.so0.010
qmcplusplus::Vector > >::resize(unsigned long, double)exec0.010
void qmcplusplus::DelayedUpdate::getInvRow > >(qmcplusplus::Matrix > const&, int, qmcplusplus::Vector >&)exec0.010
__GI___sched_yieldlibc-2.28.so0.010
qmcplusplus::SPOSet::evaluate_notranspose(qmcplusplus::ParticleSet const&, int, int, qmcplusplus::Matrix >&, qmcplusplus::Matrix, std::allocator > >&, qm...exec0.010
miniqmcreference::einspline_spo_ref::set(int, int, int, int, int, bool)exec0.010
__GI___pthread_setspecificlibpthread-2.28.so0.010
__GI___pthread_getspecificlibpthread-2.28.so0.010
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010
ucp_worker_progress@pltlibmlx-fi.so0.010
pthread_mutex_lock@pltlibmlx-fi.so0.010
__tls_get_addr_slowld-2.28.so0.010
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010
_dl_relocate_objectld-2.28.so0.010
qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010
main.extracted.110+exec0.010
Loop 23 - 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
mkl_blas_avx512_dgemm_dcopy_right8_ea@pltlibmkl_avx512.so.20.010
.plt.sec@startlibiomp5.so0.010
unknown_functionexec0.010
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constexec00
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