options

Profiling node skylake - process 854583 - thread 854583

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec25.6615.33
Loop 669 - MultiBsplineRef.hpp:43-74 - exec+25.615.3
Loop 670 - MultiBsplineRef.hpp:65-74 - exec+25.615.3
Loop 671 - MultiBsplineRef.hpp:66-74 - exec+25.615.3
Loop 672 - MultiBsplineRef.hpp:70-73 - exec25.615.3
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec16.139.64
Loop 675 - TinyVectorOps.h:59-59 - exec+15.29.08
Loop 677 - MultiBsplineRef.hpp:233-270 - exec+14.718.79
Loop 678 - MultiBsplineRef.hpp:234-270 - exec+14.718.79
Loop 679 - MultiBsplineRef.hpp:249-270 - exec14.718.79
Loop 676 - MultiBsplineRef.hpp:284-295 - exec0.490.29
Loop 673 - einspline_spo_ref.hpp:219-227 - exec+0.890.53
Loop 674 - einspline_spo_ref.hpp:223-227 - exec0.890.53
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.215.449.23
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.214.88.85
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec13.357.98
Loop 971 - ParticleBConds.h:185-217 - exec13.247.91
__intel_avx_rep_memset+exec1.660.99
Loop 1264 - - exec1.020.61
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.20.72
qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const+exec1.090.65
Loop 230 - BsplineFunctor.h:236-241 - exec0.970.58
Loop 228 - BsplineFunctor.h:246-260 - exec0.060.04
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec1.050.63
Loop 244 - TwoBodyJastrowRef.h:322-347 - exec+0.650.39
Loop 245 - TwoBodyJastrowRef.h:340-345 - exec0.650.39
Loop 247 - TwoBodyJastrowRef.h:322-329 - exec0.370.22
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.050.62
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.21.040.62
__nss_database_lookuplibc.so.60.820.49
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.660.39
Loop 240 - TwoBodyJastrowRef.h:148-155 - exec+0.520.31
Loop 241 - TwoBodyJastrowRef.h:153-154 - exec0.520.31
Loop 242 - stl_numeric.h:140-141 - exec0.060.04
Loop 243 - TwoBodyJastrowRef.h:266-271 - exec0.020.01
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.630.37
Loop 779 - DiracDeterminantRef.cpp:157-178 - exec+0.630.37
Loop 780 - inner_product.hpp:81-82 - exec0.630.37
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.590.35
Loop 227 - BsplineFunctor.h:291-298 - exec0.430.25
Loop 225 - BsplineFunctor.h:302-335 - exec0.140.09
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.490.29
Loop 772 - inner_product.hpp:154-154 - exec0.490.29
miniqmcreference::DiracDeterminantRef >::ratio(qmcplusplus::ParticleSet&, int)+exec0.460.28
Loop 778 - inner_product.hpp:81-82 - exec0.440.26
__intel_avx_rep_memcpyexec0.460.28
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.440.26
Loop 773 - inner_product.hpp:154-154 - exec0.350.21
Loop 775 - inner_product.hpp:81-82 - exec0.080.05
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.360.21
Loop 757 - inner_product.hpp:209-211 - exec+0.360.21
Loop 758 - inner_product.hpp:210-211 - exec0.360.21
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.240.14
qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone .extracted]+exec0.240.14
Loop 653 - BsplineAllocator.hpp:171-180 - exec+0.230.13
Loop 654 - BsplineAllocator.hpp:179-180 - exec0.230.13
mkl_lapack_xdlaswplibmkl_core.so.20.180.1
qmcplusplus::DistanceTableBA::evaluate(qmcplusplus::ParticleSet&)+exec0.170.1
Loop 975 - DistanceTableBA.h:88-102 - exec+0.170.1
Loop 976 - DistanceTableBA.h:89-99 - exec+0.170.1
Loop 977 - DistanceTableBA.h:99-99 - exec0.170.1
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.150.09
Loop 252 - TwoBodyJastrowRef.h:265-418 - exec+0.160.08
Loop 253 - TwoBodyJastrowRef.h:265-418 - exec+0.160.08
Loop 258 - TwoBodyJastrowRef.h:386-389 - exec0.030.02
Loop 260 - TwoBodyJastrowRef.h:379-380 - exec0.030.02
Loop 255 - TwoBodyJastrowRef.h:395-396 - exec0.020.01
Loop 254 - TwoBodyJastrowRef.h:395-396 - exec0.020.01
Loop 261 - TwoBodyJastrowRef.h:379-380 - exec0.020.01
Loop 262 - TwoBodyJastrowRef.h:373-374 - exec0.020.01
Loop 256 - TwoBodyJastrowRef.h:395-396 - exec0.010
Loop 263 - stl_numeric.h:140-141 - exec0.010
Loop 251 - TwoBodyJastrowRef.h:421-425 - exec0.010
main.extracted.104+exec0.130.07
Loop 34 - new_allocator.h:130-168 - exec+0.080.05
Loop 37 - miniqmc.cpp:472-488 - exec+0.080.05
Loop 38 - miniqmc.cpp:476-488 - exec+0.080.05
Loop 39 - miniqmc.cpp:478-488 - exec0.080.05
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.120.07
Loop 769 - inner_product.hpp:82-154 - exec+0.120.07
Loop 770 - inner_product.hpp:82-154 - exec0.120.07
unknown_function[vdso]0.110.06
qmcplusplus::TimerType::stop()+exec0.090.05
Loop 1048 - NewTimer.cpp:99-100 - exec0.010
qmcplusplus::TimerType::start()+exec0.080.04
Loop 1046 - NewTimer.cpp:53-54 - exec0.010
std::map, double, std::less >, std::allocator const, double> > >::operator[](qmcplusplus::StackKeyParam<2> const&)+exec0.070.04
Loop 1050 - NewTimer.h:119-121 - exec0.060.04
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.060.03
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.050.03
Loop 215 - stl_algobase.h:930-931 - exec0.050.03
_dl_deallocate_tlsld-linux-x86-64.so.20.050.03
__kmp_get_global_thread_id_reglibiomp5.so0.050.03
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.040.02
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.040.02
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.040.02
std::map, long, std::less >, std::allocator const, long> > >::operator[](qmcplusplus::StackKeyParam<2> const&)+exec0.040.02
Loop 1051 - NewTimer.h:119-121 - exec0.020.01
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.040.02
Loop 784 - stl_algobase.h:918-918 - exec0.040.02
__kmp_api_omp_get_levellibiomp5.so0.030.02
__libm_logl_exexec0.030.02
miniqmcreference::TwoBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int)+exec0.030.02
Loop 250 - TwoBodyJastrowRef.h:125-130 - exec0.010
qmcplusplus::WaveFunction::ratio(qmcplusplus::ParticleSet&, int)+exec0.030.02
Loop 74 - WaveFunction.cpp:216-219 - exec0.030.02
qmcplusplus::DistanceTableBA::update(int)exec0.030.02
miniqmcreference::TwoBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.030.02
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.030.02
Loop 205 - OneBodyJastrowRef.h:112-198 - exec+0.030.02
Loop 206 - OneBodyJastrowRef.h:170-198 - exec+0.030.02
Loop 207 - OneBodyJastrowRef.h:196-197 - exec0.030.02
miniqmcreference::OneBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int)exec0.030.02
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.030.02
Loop 192 - OneBodyJastrowRef.h:190-191 - exec0.010
Loop 190 - OneBodyJastrowRef.h:196-197 - exec0.010
__tls_get_addrld-linux-x86-64.so.20.030.02
inflate_fastlibmpi.so.12.0.00.020.01
mkl_blas_avx512_xdswaplibmkl_avx512.so.20.020.01
__kmp_elapsedlibiomp5.so0.020.01
__kmp_api_omp_get_wtimelibiomp5.so0.020.01
qmcplusplus::TimerManager >::pop_timer(qmcplusplus::TimerType*)exec0.020.01
qmcplusplus::DistanceTableBA::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int)exec0.020.01
qmcplusplus::DistanceTableAA::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int)exec0.020.01
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&)+exec0.020.01
Loop 903 - ParticleSet.cpp:290-291 - exec0.020.01
miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.020.01
Loop 224 - OneBodyJastrowRef.h:218-223 - exec0.010
mkl_blas_dgemmlibmkl_intel_thread.so.20.010
mkl_serv_cpu_detectlibmkl_core.so.20.010
DGEMVlibmkl_intel_lp64.so.20.010
mkl_blas_avx512_d_generic_fullacopybcopylibmkl_avx512.so.20.010
mkl_blas_avx512_dgemm_ker0libmkl_avx512.so.20.010
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010
__kmp_get_ancestor_thread_numlibiomp5.so0.010
__kmp_fork_calllibiomp5.so0.010
__kmp_api_omp_in_parallellibiomp5.so0.010
readdirlibc.so.60.010
_intel_fast_memsetexec0.010
__libm_exp_l9exec0.010
adler32libmpi.so.12.0.00.010
void qmcplusplus::expandSuperCell(qmcplusplus::ParticleSet&, qmcplusplus::Tensor const&)+exec0.010
Loop 987 - ParticleIOUtility.h:65-91 - exec+0.010
Loop 988 - ParticleIOUtility.h:65-91 - exec+0.010
Loop 989 - ParticleIOUtility.h:68-91 - exec+0.010
Loop 990 - ParticleIOUtility.h:69-91 - exec+0.010
Loop 991 - ParticleIOUtility.h:70-91 - exec0.010
qmcplusplus::DistanceTableAA::update(int)exec0.010
qmcplusplus::ParticleSet::setActive(int)exec0.010
void qmcplusplus::DelayedUpdate::getInvRow > >(qmcplusplus::Matrix > const&, int, qmcplusplus::Vector >&)exec0.010
qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.010
Loop 73 - WaveFunction.cpp:204-207 - exec0.010
_dl_rtld_di_serinfold-linux-x86-64.so.20.010
unknown_functionexec0.010
unknown_kernel_regionkernel0.010
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