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Profiling node skylake - process 825857 - thread 825857

NameModuleCoverage (%)Time (s)
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)+exec24.9116.67
Loop 827 - MultiBsplineRef.hpp:43-74 - exec+24.8416.62
Loop 829 - MultiBsplineRef.hpp:65-73 - exec+24.8416.62
Loop 830 - MultiBsplineRef.hpp:66-73 - exec+24.8416.62
Loop 831 - MultiBsplineRef.hpp:70-73 - exec24.8416.62
void qmcplusplus::DTD_BConds::computeDistances, qmcplusplus::VectorSoAContainer >, qmcplusplus::VectorSoAContainer+exec18.0412.07
Loop 1167 - ParticleBConds.h:185-217 - exec18.0212.06
miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator >...+exec15.8110.58
Loop 834 - TinyVectorOps.h:59-59 - exec+14.799.9
Loop 837 - MultiBsplineRef.hpp:233-270 - exec+14.279.55
Loop 838 - MultiBsplineRef.hpp:234-270 - exec+14.279.55
Loop 840 - MultiBsplineRef.hpp:249-270 - exec14.279.55
Loop 836 - MultiBsplineRef.hpp:284-295 - exec0.520.35
Loop 832 - einspline_spo_ref.hpp:219-227 - exec+0.960.64
Loop 833 - einspline_spo_ref.hpp:223-227 - exec0.960.64
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.214.159.47
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.213.38.9
__intel_avx_rep_memset+exec1.621.09
Loop 1469 - - exec1.050.7
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.150.77
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.21.090.73
qmcplusplus::BsplineFunctor::evaluateV(int, int, int, double const*, double*) const+exec1.010.67
Loop 302 - BsplineFunctor.h:236-241 - exec0.90.6
Loop 300 - BsplineFunctor.h:246-260 - exec0.10.07
miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)+exec10.67
Loop 327 - TwoBodyJastrowRef.h:322-329 - exec0.320.22
Loop 323 - TwoBodyJastrowRef.h:340-345 - exec0.240.16
Loop 325 - TwoBodyJastrowRef.h:340-345 - exec0.220.14
Loop 324 - TwoBodyJastrowRef.h:340-345 - exec0.210.14
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.20.930.62
qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.750.51
Loop 299 - BsplineFunctor.h:291-297 - exec0.620.42
Loop 297 - BsplineFunctor.h:302-335 - exec0.070.05
__nss_database_lookuplibc.so.60.70.47
miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.610.41
Loop 318 - TwoBodyJastrowRef.h:153-154 - exec0.160.11
Loop 319 - TwoBodyJastrowRef.h:153-154 - exec0.150.1
Loop 317 - TwoBodyJastrowRef.h:153-154 - exec0.140.09
Loop 321 - stl_numeric.h:140-141 - exec0.130.09
Loop 322 - TwoBodyJastrowRef.h:266-271 - exec0.010
miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus:...+exec0.550.36
Loop 956 - DiracDeterminantRef.cpp:157-178 - exec+0.550.36
Loop 957 - inner_product.hpp:81-82 - exec0.550.36
miniqmcreference::DiracDeterminantRef >::ratio(qmcplusplus::ParticleSet&, int)+exec0.490.32
Loop 955 - inner_product.hpp:81-82 - exec0.470.31
miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.460.3
Loop 945 - inner_product.hpp:154-154 - exec0.460.3
__intel_avx_rep_memcpyexec0.410.28
qmcplusplus::DiracMatrix::invert_transpose(qmcplusplus::Matrix > const&, qmcplusplus::Matrix >&, double&, double&)+exec0.330.22
Loop 929 - inner_product.hpp:209-211 - exec+0.330.22
Loop 930 - inner_product.hpp:210-211 - exec0.330.22
miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.320.21
Loop 946 - inner_product.hpp:154-154 - exec0.280.18
Loop 949 - inner_product.hpp:81-82 - exec0.040.02
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.230.16
qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone .extracted]+exec0.220.14
Loop 810 - BsplineAllocator.hpp:171-180 - exec+0.220.14
Loop 812 - BsplineAllocator.hpp:179-180 - exec0.220.14
miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.160.11
Loop 332 - TwoBodyJastrowRef.h:265-418 - exec+0.140.09
Loop 333 - TwoBodyJastrowRef.h:265-418 - exec+0.140.09
Loop 346 - TwoBodyJastrowRef.h:373-374 - exec0.030.02
Loop 348 - stl_numeric.h:140-141 - exec0.030.02
Loop 342 - TwoBodyJastrowRef.h:379-380 - exec0.020.01
Loop 340 - TwoBodyJastrowRef.h:379-380 - exec0.020.01
Loop 338 - TwoBodyJastrowRef.h:386-389 - exec0.010.01
Loop 335 - TwoBodyJastrowRef.h:395-396 - exec0.010.01
Loop 336 - TwoBodyJastrowRef.h:395-396 - exec0.010
Loop 337 - TwoBodyJastrowRef.h:395-396 - exec0.010.01
qmcplusplus::DistanceTableBA::evaluate(qmcplusplus::ParticleSet&)+exec0.150.1
Loop 1171 - DistanceTableBA.h:88-102 - exec+0.150.1
Loop 1172 - DistanceTableBA.h:89-99 - exec+0.150.1
Loop 1173 - DistanceTableBA.h:99-99 - exec0.150.1
main.extracted.104+exec0.120.08
Loop 36 - new_allocator.h:130-168 - exec+0.020.01
Loop 39 - miniqmc.cpp:472-488 - exec+0.020.01
Loop 40 - miniqmc.cpp:476-488 - exec+0.020.01
Loop 41 - miniqmc.cpp:478-488 - exec0.020.01
std::map, double, std::less >, std::allocator const, double> > >::operator[](qmcplusplus::StackKeyParam<2> const&)+exec0.10.07
Loop 1246 - stl_tree.h:782-1952 - exec0.080.05
miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus...+exec0.10.07
Loop 942 - inner_product.hpp:82-154 - exec+0.10.06
Loop 943 - inner_product.hpp:82-154 - exec0.10.06
unknown_function[vdso]0.090.06
mkl_lapack_xdlaswplibmkl_core.so.20.080.05
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.070.05
miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.070.05
Loop 243 - OneBodyJastrowRef.h:190-191 - exec0.040.02
Loop 241 - OneBodyJastrowRef.h:196-197 - exec0.010.01
Loop 240 - OneBodyJastrowRef.h:196-197 - exec0.010
Loop 235 - stl_numeric.h:140-141 - exec0.010.01
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.070.04
qmcplusplus::TimerType::start()exec0.070.04
__kmp_api_omp_get_levellibiomp5.so0.060.04
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.050.03
qmcplusplus::TimerType::stop()+exec0.040.03
Loop 1244 - NewTimer.cpp:99-100 - exec0.010
miniqmcreference::DiracDeterminantRef >::resize(int, int)+exec0.040.03
Loop 961 - stl_algobase.h:918-918 - exec0.040.03
qmcplusplus::Vector >::resize(unsigned long, double)+exec0.040.02
Loop 283 - stl_algobase.h:930-931 - exec0.040.02
__kmp_elapsedlibiomp5.so0.040.02
unknown_kernel_regionkernel0.040.02
__kmp_get_ancestor_thread_numlibiomp5.so0.030.02
__kmp_get_global_thread_id_reglibiomp5.so0.030.02
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&)+exec0.030.02
Loop 1099 - ParticleSet.cpp:290-291 - exec0.010.01
_dl_deallocate_tlsld-linux-x86-64.so.20.030.02
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.020.01
std::map, long, std::less >, std::allocator const, long> > >::operator[](qmcplusplus::StackKeyParam<2> const&)+exec0.020.01
Loop 1247 - stl_tree.h:782-1952 - exec0.020.01
miniqmcreference::OneBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int)+exec0.020.01
Loop 253 - OneBodyJastrowRef.h:147-150 - exec0.010
__tls_get_addrld-linux-x86-64.so.20.020.01
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010.01
_intel_fast_memsetexec0.010.01
__libm_exp_l9exec0.010.01
void qmcplusplus::DelayedUpdate::getInvRow > >(qmcplusplus::Matrix > const&, int, qmcplusplus::Vector >&)exec0.010.01
miniqmcreference::TwoBodyJastrowRef >::ratio(qmcplusplus::ParticleSet&, int)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::Particle...+exec0.010.01
Loop 262 - OneBodyJastrowRef.h:113-198 - exec+0.010.01
Loop 269 - OneBodyJastrowRef.h:196-197 - exec0.010.01
miniqmcreference::OneBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010.01
miniqmcreference::OneBodyJastrowRef >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.01
qmcplusplus::WaveFunction::ratio(qmcplusplus::ParticleSet&, int)+exec0.010.01
Loop 107 - WaveFunction.cpp:216-219 - exec0.010.01
_dl_rtld_di_serinfold-linux-x86-64.so.20.010.01
mkl_lapack_dlaswplibmkl_intel_thread.so.20.010
mkl_serv_cbwr_getlibmkl_core.so.20.010
mkl_serv_cpu_detectlibmkl_core.so.20.010
mkl_blas_errchk_dgerlibmkl_intel_lp64.so.20.010
mkl_serv_get_dynamic@pltlibmkl_intel_thread.so.20.010
inflate_fastlibmpi.so.12.0.00.010
mkl_blas_avx512_xdswaplibmkl_avx512.so.20.010
mkl_blas_avx512_d_generic_fullacopybcopylibmkl_avx512.so.20.010
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.010
__kmp_api_omp_in_parallellibiomp5.so0.010
adler32libmpi.so.12.0.00.010
qmcplusplus::TimerManager >::pop_timer(qmcplusplus::TimerType*)exec0.010
qmcplusplus::TimerManager >::push_timer(qmcplusplus::TimerType*)exec0.010
void qmcplusplus::expandSuperCell(qmcplusplus::ParticleSet&, qmcplusplus::Tensor const&)+exec0.010
Loop 1183 - ParticleIOUtility.h:65-91 - exec+0.010
Loop 1184 - ParticleIOUtility.h:67-91 - exec+0.010
Loop 1185 - ParticleIOUtility.h:68-91 - exec+0.010
Loop 1186 - ParticleIOUtility.h:69-91 - exec+0.010
Loop 1187 - ParticleIOUtility.h:70-91 - exec0.010
qmcplusplus::DistanceTableBA::update(int)exec0.010
qmcplusplus::DistanceTableBA::evaluate(qmcplusplus::ParticleSet&, int)exec0.010
qmcplusplus::DistanceTableAA::evaluate(qmcplusplus::ParticleSet&, int)exec0.010
qmcplusplus::ParticleSet::acceptMove(int)exec0.010
miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)exec0.010
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)+exec0.010
Loop 106 - WaveFunction.cpp:204-207 - exec0.010
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.010
Loop 105 - WaveFunction.cpp:191-194 - exec0.010
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