options

Profiling node o404 - process 426573 - thread 426573

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec28.3222.81
Loop 870 - MultiBsplineRef.hpp:42-71 - exec+28.2122.73
Loop 871 - MultiBsplineRef.hpp:63-71 - exec+28.2122.73
Loop 872 - MultiBsplineRef.hpp:64-71 - exec+28.2122.73
Loop 873 - MultiBsplineRef.hpp:68-70 - exec28.2122.73
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.212.5610.11
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec12.5510.11
Loop 876 - MultiBsplineRef.hpp:187-286 - exec+11.739.45
Loop 878 - MultiBsplineRef.hpp:226-262 - exec+11.259.06
Loop 879 - MultiBsplineRef.hpp:227-262 - exec+11.259.06
Loop 880 - MultiBsplineRef.hpp:242-262 - exec11.259.06
Loop 877 - MultiBsplineRef.hpp:276-286 - exec0.480.39
Loop 874 - einspline_spo_ref.hpp:219-227 - exec+0.760.61
Loop 875 - einspline_spo_ref.hpp:223-227 - exec0.760.61
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.211.819.51
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec9.17.33
Loop 2088 - SoaDistanceTableABOMPTarget.h:214-228 - exec+9.087.31
Loop 2089 - SoaDistanceTableABOMPTarget.h:215-228 - exec+9.087.31
Loop 2090 - SoaDistanceTableABOMPTarget.h:228-228 - exec9.087.31
Loop 2091 - SoaDistanceTableABOMPTarget.h:194-196 - exec0.010
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec5.164.16
Loop 1864 - SoaDistanceTableAAOMPTarget.h:440-442 - exec5.164.15
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec2.041.64
Loop 1370 - ParticleBConds3DSoa.h:235-256 - exec2.011.62
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.661.34
Loop 389 - TwoBodyJastrowRef.h:107-132 - exec+1.651.33
Loop 390 - BsplineFunctor.h:229-260 - exec+1.651.33
Loop 393 - BsplineFunctor.h:236-241 - exec1.541.24
Loop 391 - BsplineFunctor.h:246-260 - exec0.110.09
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.531.23
__intel_avx_rep_memset+exec1.51.21
Loop 2345 - - exec0.90.72
kmp_flag_64::wait(kmp_info*, int, void*)libiomp5.so1.251
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.21.040.83
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.970.78
Loop 363 - TwoBodyJastrowRef.h:324-331 - exec0.290.24
Loop 357 - TwoBodyJastrowRef.h:342-347 - exec0.270.22
Loop 361 - TwoBodyJastrowRef.h:342-347 - exec0.220.18
Loop 359 - TwoBodyJastrowRef.h:342-347 - exec0.150.12
Loop 365 - TwoBodyJastrowRef.h:269-274 - exec0.010
unknown_functionUnknown module0.750.61
MPL_gpu_cuda_finalizelibmpi.so.12.0.00.750.6
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.720.58
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.710.57
Loop 992 - inner_product.hpp:82-155 - exec+0.710.57
Loop 994 - inner_product.hpp:155-155 - exec0.520.42
Loop 996 - inner_product.hpp:82-83 - exec0.190.15
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.70.56
Loop 332 - BsplineFunctor.h:291-297 - exec0.540.43
Loop 330 - BsplineFunctor.h:303-338 - exec0.070.05
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.610.49
Loop 351 - TwoBodyJastrowRef.h:155-156 - exec0.20.17
Loop 350 - TwoBodyJastrowRef.h:155-156 - exec0.170.13
Loop 352 - TwoBodyJastrowRef.h:155-156 - exec0.120.1
Loop 354 - stl_numeric.h:126-127 - exec0.090.07
__GI___pthread_mutex_locklibpthread-2.28.so0.530.43
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.520.41
Loop 981 - inner_product.hpp:155-155 - exec0.510.41
MPIR_Progress_hook_exec_on_vcilibmpi.so.12.0.00.480.39
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.40.32
Loop 982 - inner_product.hpp:155-155 - exec0.340.27
Loop 985 - inner_product.hpp:82-83 - exec0.060.04
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector >&, qmcplusplus::Vector > const&, std::vector >&)+exec0.380.31
Loop 881 - inner_product.hpp:82-83 - exec+0.380.3
Loop 883 - inner_product.hpp:82-83 - exec0.380.3
__pthread_mutex_unlock_usercntlibpthread-2.28.so0.340.27
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.270.22
Loop 960 - inner_product.hpp:210-212 - exec+0.270.22
Loop 961 - inner_product.hpp:211-212 - exec0.170.14
Loop 962 - inner_product.hpp:211-212 - exec0.10.08
unknown_kernel_regionkernel0.210.17
__intel_avx_rep_memcpyexec0.190.15
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.160.13
Loop 368 - TwoBodyJastrowRef.h:268-420 - exec+0.160.11
Loop 370 - stl_algobase.h:752-754 - exec+0.160.11
Loop 383 - TwoBodyJastrowRef.h:381-382 - exec0.040.03
Loop 381 - TwoBodyJastrowRef.h:381-382 - exec0.040.03
Loop 379 - TwoBodyJastrowRef.h:381-382 - exec0.020.02
Loop 375 - TwoBodyJastrowRef.h:397-398 - exec0.010
Loop 377 - TwoBodyJastrowRef.h:388-391 - exec0.010
Loop 385 - TwoBodyJastrowRef.h:375-376 - exec0.010
Loop 387 - stl_numeric.h:126-127 - exec0.010.01
Loop 373 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
Loop 374 - TwoBodyJastrowRef.h:397-398 - exec0.010.01
MPIDI_Progress_testlibmpi.so.12.0.00.140.11
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.140.11
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.120.09
Loop 268 - OneBodyJastrowRef.h:186-187 - exec0.040.03
Loop 264 - OneBodyJastrowRef.h:192-193 - exec0.020.02
Loop 258 - stl_numeric.h:126-127 - exec0.010
Loop 265 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 263 - OneBodyJastrowRef.h:192-193 - exec0.010.01
mkl_lapack_xdlaswplibmkl_core.so.20.110.09
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.110.09
Loop 975 - inner_product.hpp:82-155 - exec+0.110.09
Loop 979 - inner_product.hpp:155-155 - exec0.10.08
Loop 977 - inner_product.hpp:82-83 - exec0.010.01
qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.10.08
Loop 75 - NonLocalPP.hpp:122-135 - exec+0.010.01
Loop 76 - NonLocalPP.hpp:126-135 - exec+0.010.01
Loop 77 - NonLocalPP.hpp:131-132 - exec0.010.01
qmcplusplus::TimerType::stop()exec0.090.08
uct_rc_mlx5_iface_progress_cycliclibuct_ib.so.0.0.00.090.08
unknown_function[vdso]0.080.07
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.080.06
MPIDI_OFI_progresslibmpi.so.12.0.00.070.06
qmcplusplus::TimerType::start()+exec0.070.06
Loop 1555 - NewTimer.cpp:53-54 - exec0.010
ofi_cq_progresslibmlx-fi.so0.060.05
ucp_worker_progresslibucp.so.0.0.00.060.05
mlx_ep_progresslibmlx-fi.so0.060.05
MPIDI_OFI_get_bufferedlibmpi.so.12.0.00.060.04
MPIDI_SHMI_progresslibmpi.so.12.0.00.050.04
std::map, double, std::less >, std::allocator const, double> > >::operator[](qmcplusplus::StackKeyParam<2> const&)exec0.050.04
qmcplusplus::TimerManager >::push_timer(qmcplusplus::TimerType*)exec0.040.03
__dynamic_castlibstdc++.so.6.0.250.040.03
pthread_mutex_unlock@pltlibmlx-fi.so0.040.03
ofi_cq_readfromlibmlx-fi.so0.040.03
ofi_mutex_lock_nooplibmlx-fi.so0.040.03
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.040.03
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.040.03
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.040.03
Loop 303 - OneBodyJastrowRef.h:134-155 - exec+0.030.02
Loop 305 - BsplineFunctor.h:229-260 - exec+0.030.02
Loop 308 - BsplineFunctor.h:236-241 - exec0.030.02
main.extracted.110+exec0.040.03
Loop 24 - new_allocator.h:101-125 - exec+0.040.03
Loop 35 - StdRandom.h:102-103 - exec+0.040.03
Loop 36 - miniqmc.cpp:429-458 - exec0.040.03
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
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.030.02
__libm_exp_z0exec0.030.02
pthread_mutex_lock@pltlibmlx-fi.so0.030.02
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.02
MPID_Progress_completion_count_getlibmpi.so.12.0.00.020.02
__kmp_api_omp_get_levellibiomp5.so0.020.02
MPID_Progress_waitlibmpi.so.12.0.00.020.02
kmp_flag_native::notdone_check()libiomp5.so0.020.02
std::chrono::_V2::system_clock::now()libstdc++.so.6.0.250.020.02
ucp_worker_progress@pltlibmlx-fi.so0.020.02
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.020.02
Loop 313 - stl_algobase.h:752-754 - exec0.020.02
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.020.02
Loop 290 - OneBodyJastrowRef.h:109-194 - exec+0.030.01
Loop 300 - OneBodyJastrowRef.h:186-187 - exec0.010
Loop 297 - OneBodyJastrowRef.h:192-193 - exec0.010.01
Loop 295 - OneBodyJastrowRef.h:192-193 - exec0.010
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.020.02
impi_shm_heap_progresslibmpi.so.12.0.00.020.02
__kmp_get_global_thread_id_reglibiomp5.so0.020.02
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec0.020.02
std::map, long, std::less >, std::allocator const, long> > >::operator[](qmcplusplus::StackKeyParam<2> const&)exec0.020.02
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)exec0.020.02
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.020.02
Loop 102 - WaveFunction.cpp:198-201 - exec0.010
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.020.02
Loop 101 - WaveFunction.cpp:185-188 - exec0.020.02
mkl_blas_xdgerlibmkl_core.so.20.010.01
inflate_fastlibmpi.so.12.0.00.010.01
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010.01
ofi_cq_readlibmlx-fi.so0.010.01
qmcplusplus::ParticleSet::rejectMove(int)exec0.010.01
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010.01
update_get_addrld-2.28.so0.010.01
_dl_update_slotinfold-2.28.so0.010.01
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
do_lookup_xld-2.28.so0.010.01
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010.01
__tls_get_addrld-2.28.so0.010.01
.plt.sec@startlibiomp5.so0.010.01
DGEMVlibmkl_intel_lp64.so.20.010
mkl_blas_xdgemvlibmkl_core.so.20.010
mkl_serv_intel_cpulibmkl_core.so.20.010
mm_account_ptr_by_tidlibmkl_core.so.20.010
mkl_serv_allocatelibmkl_core.so.20.010
mkl_serv_intel_cpu@pltlibmkl_intel_thread.so.20.010
mkl_serv_lsame@pltlibmkl_intel_lp64.so.20.010
mkl_blas_avx512_dgemm_initialize_kernel_infolibmkl_avx512.so.20.010
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.010
MPIDU_Init_shm_barrierlibmpi.so.12.0.00.010
__kmp_get_ancestor_thread_numlibiomp5.so0.010
__libm_log_z0exec0.010
qmcplusplus::TimerManager >::pop_timer(qmcplusplus::TimerType*)exec0.010
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constexec0.010
qmcplusplus::RealSpacePositionsOMPTarget::setOneParticlePos(qmcplusplus::TinyVector const&, unsigned long)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::update(bool)exec0.010
qmcplusplus::ParticleSet::getDistTableAB(int) constexec0.010
ofi_mutex_unlock_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___pthread_getspecificlibpthread-2.28.so0.010
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
qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010
.plt.sec@startlibc-2.28.so0.010
.plt.sec@startlibstdc++.so.6.0.250.010
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)exec00
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