options

Profiling node o404 - process 187436 - thread 187436

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec20.9320.28
Loop 817 - einspline_spo_ref.hpp:175-176 - exec+20.8620.21
Loop 819 - MultiBsplineRef.hpp:63-71 - exec+20.8620.21
Loop 818 - MultiBsplineRef.hpp:64-71 - exec+20.8620.21
Loop 820 - MultiBsplineRef.hpp:68-71 - exec20.8620.21
void miniqmcreference::MultiBsplineEvalRef::evaluate_vgh(qmcplusplus::bspline_traits::SplineType const*, double, double, double, double*, double*, double*, unsigned long)+exec20.3319.7
Loop 888 - MultiBsplineRef.hpp:226-262 - exec+19.318.7
Loop 887 - MultiBsplineRef.hpp:227-262 - exec+19.318.7
Loop 886 - MultiBsplineRef.hpp:242-262 - exec19.318.7
Loop 885 - MultiBsplineRef.hpp:276-286 - exec1.020.99
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.210.5110.18
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.29.639.33
qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec9.529.22
Loop 2732 - SoaDistanceTableABOMPTarget.h:214-228 - exec+9.489.19
Loop 2731 - SoaDistanceTableABOMPTarget.h:215-228 - exec+9.489.19
Loop 2733 - SoaDistanceTableABOMPTarget.h:228-228 - exec9.489.19
qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)+exec4.284.15
Loop 2289 - SoaDistanceTableAAOMPTarget.h:440-442 - exec4.264.13
Loop 2290 - SoaDistanceTableAAOMPTarget.h:437-437 - exec0.010
MPL_gpu_cuda_finalizelibmpi.so.12.0.01.941.88
unknown_functionUnknown module1.941.88
miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec1.721.67
Loop 340 - TwoBodyJastrowRef.h:107-132 - exec+1.71.65
Loop 341 - TwoBodyJastrowRef.h:127-132 - exec+1.71.65
Loop 342 - BsplineFunctor.h:236-241 - exec1.611.56
Loop 343 - BsplineFunctor.h:246-260 - exec0.090.09
qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+exec1.371.33
Loop 2408 - ParticleBConds3DSoa.h:237-255 - exec0.710.69
Loop 2407 - ParticleBConds3DSoa.h:237-255 - exec0.640.62
MPIR_Progress_hook_exec_on_vcilibmpi.so.12.0.01.331.29
uct_ud_mlx5_iface_progresslibuct_ib.so.0.0.01.251.22
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.21.16
__pthread_mutex_unlock_usercntlibpthread-2.28.so1.181.14
__GI___pthread_mutex_locklibpthread-2.28.so1.151.11
pthread_spin_locklibpthread-2.28.so0.990.96
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.890.86
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.880.86
Loop 568 - TwoBodyJastrowRef.h:320-355 - exec+0.50.48
Loop 570 - TwoBodyJastrowRef.h:342-347 - exec0.50.48
Loop 571 - TwoBodyJastrowRef.h:324-331 - exec0.360.34
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec0.690.66
Loop 889 - einspline_spo_ref.hpp:219-227 - exec+0.670.64
Loop 890 - einspline_spo_ref.hpp:223-227 - exec0.670.64
miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)+exec0.610.59
Loop 564 - TwoBodyJastrowRef.h:269-271 - exec+0.540.51
Loop 565 - BsplineFunctor.h:291-298 - exec0.440.42
Loop 567 - BsplineFunctor.h:305-336 - exec0.090.09
Loop 566 - BsplineFunctor.h:305-336 - exec0.010
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.570.55
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.50.48
Loop 980 - DiracDeterminantRef.cpp:173-178 - exec+0.50.48
Loop 981 - inner_product.hpp:155-155 - exec0.40.38
Loop 982 - inner_product.hpp:82-83 - exec0.10.1
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.470.46
Loop 572 - TwoBodyJastrowRef.h:150-157 - exec+0.390.38
Loop 573 - TwoBodyJastrowRef.h:155-156 - exec0.390.38
Loop 574 - stl_numeric.h:140-141 - exec0.080.08
unknown_kernel_regionkernel0.450.44
MPIDI_Progress_testlibmpi.so.12.0.00.450.44
uct_rc_mlx5_iface_progress_cycliclibuct_ib.so.0.0.00.410.4
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.280.27
Loop 977 - inner_product.hpp:155-155 - exec0.260.25
miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.250.25
Loop 975 - SPOSet.h:83-86 - exec+0.250.24
Loop 976 - inner_product.hpp:82-83 - exec0.250.24
MPIDI_OFI_progresslibmpi.so.12.0.00.250.24
ofi_cq_progresslibmlx-fi.so0.220.22
miniqmcreference::DiracDeterminantRef >::invertPsiM(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&)+exec0.220.21
Loop 995 - inner_product.hpp:210-212 - exec+0.220.21
Loop 996 - inner_product.hpp:211-212 - exec0.220.21
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.210.2
Loop 971 - inner_product.hpp:155-155 - exec0.10.1
Loop 972 - inner_product.hpp:82-83 - exec0.080.08
ucp_worker_progresslibucp.so.0.0.00.20.2
MPIDI_SHMI_progresslibmpi.so.12.0.00.170.17
mlx_ep_progresslibmlx-fi.so0.170.16
miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)+exec0.170.16
Loop 575 - TwoBodyJastrowRef.h:268-402 - exec+0.160.15
Loop 581 - TwoBodyJastrowRef.h:268-402 - exec+0.160.15
Loop 580 - TwoBodyJastrowRef.h:377-383 - exec+0.080.08
Loop 587 - TwoBodyJastrowRef.h:381-382 - exec0.080.08
Loop 584 - TwoBodyJastrowRef.h:375-402 - exec+0.030.03
Loop 585 - TwoBodyJastrowRef.h:397-398 - exec0.030.03
Loop 586 - TwoBodyJastrowRef.h:388-391 - exec0.020.02
Loop 579 - TwoBodyJastrowRef.h:269-271 - exec+0.020.02
Loop 590 - BsplineFunctor.h:291-298 - exec0.020.02
Loop 589 - stl_numeric.h:140-141 - exec0.010
MPIDI_OFI_get_bufferedlibmpi.so.12.0.00.150.15
.plt.sec@startlibuct_ib.so.0.0.00.150.15
qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)+exec0.150.14
Loop 2540 - ParticleBConds3DSoa.h:237-255 - exec0.070.07
Loop 2539 - ParticleBConds3DSoa.h:237-255 - exec0.060.06
ofi_cq_readfromlibmlx-fi.so0.140.14
qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)+exec0.140.14
Loop 2358 - SoaDistanceTableAAOMPTarget.h:184-185 - exec+0.140.14
Loop 2359 - ParticleBConds3DSoa.h:237-255 - exec0.140.14
pthread_mutex_lock@pltlibmlx-fi.so0.130.13
mkl_lapack_xdlaswplibmkl_core.so.20.120.12
qmcplusplus::TimerType::stop()+exec0.120.11
Loop 1891 - stl_tree.h:790-1953 - exec0.040.04
Loop 1887 - stl_tree.h:790-1953 - exec0.020.02
impi_shm_heap_progresslibmpi.so.12.0.00.110.11
ofi_mutex_lock_nooplibmlx-fi.so0.10.1
ofi_mutex_unlock_nooplibmlx-fi.so0.10.1
main._omp_fn.1+exec0.10.09
Loop 65 - stl_algobase.h:918-1129 - exec+0.010.01
Loop 74 - new_allocator.h:88-168 - exec+0.010.01
Loop 102 - RandomGenerator.h:51-60 - exec+0.010.01
Loop 107 - miniqmc.cpp:429-458 - exec0.010.01
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.080.08
Loop 998 - DiracDeterminantRef.cpp:247-252 - exec+0.090.08
Loop 1000 - inner_product.hpp:155-155 - exec0.070.06
Loop 999 - inner_product.hpp:82-83 - exec0.020.02
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.080.07
MPID_Progress_waitlibmpi.so.12.0.00.070.07
unknown_function[vdso]0.070.07
MPID_Progress_completion_count_getlibmpi.so.12.0.00.060.06
ofi_cq_readlibmlx-fi.so0.060.06
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.050.04
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.050.04
qmcplusplus::TimerType::start()exec0.050.04
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.050.04
Loop 692 - OneBodyJastrowRef.h:184-194 - exec+0.020.02
Loop 694 - OneBodyJastrowRef.h:192-193 - exec0.020.02
Loop 695 - OneBodyJastrowRef.h:186-187 - exec0.020.02
miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)+exec0.050.04
Loop 258 - OneBodyJastrowRef.h:134-155 - exec+0.040.04
Loop 260 - OneBodyJastrowRef.h:143-146 - exec+0.040.04
Loop 261 - BsplineFunctor.h:236-241 - exec0.040.04
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.040.04
gomp_team_barrier_wait_endlibgomp.so.1.0.00.040.04
ucp_worker_progress@pltlibmlx-fi.so0.030.03
__dynamic_castlibstdc++.so.6.0.310.030.03
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.020.02
f64xsubf128libm-2.28.so0.020.02
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.020.02
Loop 1007 - stl_algobase.h:262-1129 - exec+0.020.02
Loop 1010 - stl_algobase.h:918-919 - exec0.020.02
miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particl...+exec0.020.02
Loop 705 - OneBodyJastrowRef.h:109-194 - exec+0.020.02
Loop 704 - OneBodyJastrowRef.h:184-194 - exec+0.020.02
Loop 706 - OneBodyJastrowRef.h:192-193 - exec0.020.02
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constexec0.020.02
mkl_blas_avx512_xdgemm_nocopy_driverlibmkl_avx512.so.20.020.02
inflate_fastlibmpi.so.12.0.00.020.02
__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.6.0.310.020.02
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010.01
operator new(unsigned long)libstdc++.so.6.0.310.010.01
adler32_zlibmpi.so.12.0.00.010.01
qmcplusplus::ParticleSet::acceptMove(int)exec0.010.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)+exec0.010.01
Loop 1236 - stl_vector.h:988-988 - exec0.010
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010.01
gomp_ialias_omp_get_levellibgomp.so.1.0.00.010.01
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*) [clone .isra.0]+exec0.010.01
Loop 216 - OneBodyJastrowRef.h:214-218 - exec+0.010.01
Loop 217 - OneBodyJastrowRef.h:214-216 - exec0.010.01
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.010.01
Loop 170 - stl_vector.h:988-988 - exec0.010.01
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
__GI___pthread_mutex_unlocklibpthread-2.28.so0.010.01
mkl_blas_dgerlibmkl_sequential.so.20.010
mkl_serv_set_xerbla_interfacelibmkl_sequential.so.20.010
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.010
MPID_Progress_idle_timer_ticklibmpi.so.12.0.00.010
MPIDU_Init_shm_barrierlibmpi.so.12.0.00.010
qmcplusplus::SoaDistanceTableABOMPTarget::update(int)exec0.010
qmcplusplus::TimerManager >::pop_timer(qmcplusplus::TimerType*)exec0.010
qmcplusplus::TimerManager >::push_timer(qmcplusplus::TimerType*)exec0.010
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
qmcplusplus::ParticleSet::update(bool)exec0.010
void qmcplusplus::expandSuperCell(qmcplusplus::ParticleSet&, qmcplusplus::Tensor const&)exec0.010
gomp_ialias_omp_get_ancestor_thread_numlibgomp.so.1.0.00.010
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...exec0.010
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)exec0.010
qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010
_dl_map_object_depsld-2.28.so0.010
unknown_functionexec0.010
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