Name | Module | Coverage run_0 (%) | Max Time Over Threads run_0 (s) | Time w.r.t. Wall Time run_0 (s) | Nb Threads run_0 | Deviation (coverage) run_0 | Deviation (walltime) run_0 | Categories run_0 | GFLOPS run_0 | Compilation Options |
---|---|---|---|---|---|---|---|---|---|---|
►miniqmcreference::einspline_spo_ref<double>::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector<double, std::allocator<double> >&) | exec | 26.95 | 22.57 | 21.59 | 112 | 0.68 | 0.62 | Exe (%): 100.00 | 267.25 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
►Loop 765 - MultiBsplineRef.hpp:42-71 - exec [...] | 0.01 | 0.02 | 0.01 | 108 | 0.01 | 0.01 | 35.60 | |||
►Loop 766 - MultiBsplineRef.hpp:63-71 - exec | 0.01 | 0.02 | 0.01 | 112 | 0.01 | 0.01 | 369.46 | |||
►Loop 767 - MultiBsplineRef.hpp:64-71 - exec | 0 | 0.02 | 0 | 112 | 0.01 | 0.00 | 0.00 | |||
○Loop 768 - MultiBsplineRef.hpp:68-70 - exec | 26.89 | 22.51 | 21.54 | 112 | 0.68 | 0.62 | 267.31 | |||
○Loop 764 - einspline_spo_ref.hpp:183-187 - exec [...] | 0 | 0.03 | 0 | 49 | 0.01 | 0.01 | 0.00 | |||
►miniqmcreference::einspline_spo_ref<double>::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<qmcplusplus::TinyVector<double, 3u>, std::allocator<... | exec | 17.78 | 15.37 | 14.24 | 112 | 0.48 | 0.40 | Exe (%): 100.00 | 591.69 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
►Loop 771 - MultiBsplineRef.hpp:187-286 - exec [...] | 0.04 | 0.08 | 0.03 | 111 | 0.02 | 0.02 | 21.93 | |||
○Loop 772 - MultiBsplineRef.hpp:276-286 - exec | 0.4 | 0.46 | 0.32 | 112 | 0.05 | 0.04 | 291.47 | |||
►Loop 773 - MultiBsplineRef.hpp:226-262 - exec [...] | 0.01 | 0.03 | 0.01 | 95 | 0.01 | 0.01 | 4.20 | |||
►Loop 774 - MultiBsplineRef.hpp:227-262 - exec [...] | 0.04 | 0.07 | 0.03 | 112 | 0.02 | 0.01 | 35.43 | |||
►Loop 778 - MultiBsplineRef.hpp:242-262 - exec [...] | 1.28 | 3.09 | 1.03 | 112 | 0.37 | 0.29 | 341.92 | |||
○Loop 780 - MultiBsplineRef.hpp:242-262 - exec [...] | 9.09 | 9.14 | 7.28 | 112 | 1.21 | 0.92 | 727.79 | |||
○Loop 779 - MultiBsplineRef.hpp:242-261 - exec [...] | 6.09 | 8.54 | 4.88 | 112 | 1.33 | 1.06 | 549.20 | |||
○Loop 777 - MultiBsplineRef.hpp:242-261 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 776 - MultiBsplineRef.hpp:242-262 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 775 - MultiBsplineRef.hpp:242-262 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 769 - einspline_spo_ref.hpp:219-227 - exec [...] | 0 | 0 | 0 | 13 | 0.00 | 0.00 | 0.00 | |||
○Loop 770 - einspline_spo_ref.hpp:223-227 - exec [...] | 0.79 | 0.78 | 0.63 | 112 | 0.09 | 0.07 | 0.00 | |||
○mkl_blas_avx512_dgemm_kernel_0 | libmkl_avx512.so.2 | 11.85 | 9.71 | 9.49 | 112 | 0.18 | 0.11 | Math (%): 100.00 | 1370.10 | |
○mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1 | libmkl_avx512.so.2 | 11.44 | 9.33 | 9.16 | 112 | 0.17 | 0.11 | Math (%): 100.00 | 1362.71 | |
►qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::evaluate(qmcplusplus::ParticleSet&) | exec | 9.92 | 8.42 | 7.94 | 112 | 0.22 | 0.19 | Exe (%): 100.00 | 296.93 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 1993 - VectorSoAContainer.h:151-176 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1995 - Mallocator.hpp:78-78 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1989 - SoaDistanceTableABOMPTarget.h:194-196 - exec | 0 | 0.02 | 0 | 31 | 0.00 | 0.00 | 0.00 | |||
○Loop 1996 - stl_construct.h:98-107 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 1992 - SoaDistanceTableABOMPTarget.h:194-196 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1991 - SoaDistanceTableABOMPTarget.h:195-196 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1990 - SoaDistanceTableABOMPTarget.h:194-196 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1994 - Mallocator.hpp:78-78 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 1986 - SoaDistanceTableABOMPTarget.h:214-228 - exec [...] | 0 | 0.01 | 0 | 106 | 0.00 | 0.00 | 0.00 | |||
►Loop 1988 - SoaDistanceTableABOMPTarget.h:215-228 - exec [...] | 0 | 0.02 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 1987 - SoaDistanceTableABOMPTarget.h:228-228 - exec [...] | 9.9 | 8.4 | 7.93 | 112 | 0.22 | 0.19 | 297.25 | |||
►qmcplusplus::SoaDistanceTableAAOMPTarget<double, 3u, 40>::update(int) | exec | 5.28 | 4.57 | 4.23 | 112 | 0.23 | 0.18 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 1742 - SoaDistanceTableAAOMPTarget.h:440-442 - exec [...] | 5.27 | 4.57 | 4.22 | 112 | 0.23 | 0.18 | 0.00 | |||
○kmp_flag_64<false, true>::wait(kmp_info*, int, void*) | libiomp5.so | 2 | 3.24 | 1.6 | 112 | 0.60 | 0.48 | OMP (%): 100.00 | 0.00 | |
►void qmcplusplus::DTD_BConds<double, 3u, 40>::computeDistances<qmcplusplus::TinyVector<double, 3u>, qmcplusplus::VectorSoAContainer<double, 3u, qmcplusplus::Mallocator<double, 64ul> >, qmcplusplus::VectorSoAContainer<double, 3... | exec | 1.77 | 1.71 | 1.42 | 112 | 0.15 | 0.12 | Exe (%): 100.00 | 1470.55 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 1244 - ParticleBConds3DSoa.h:235-256 - exec | 1.76 | 1.7 | 1.41 | 112 | 0.16 | 0.12 | 1480.75 | |||
○Loop 1242 - ParticleBConds3DSoa.h:235-255 - exec | 0 | 0 | 0 | 13 | 0.00 | 0.00 | 0.00 | |||
○Loop 1243 - ParticleBConds3DSoa.h:235-256 - exec | 0 | 0 | 0 | 48 | 0.00 | 0.00 | 0.00 | |||
►__intel_avx_rep_memset | exec | 1.69 | 1.55 | 1.35 | 112 | 0.10 | 0.08 | Memory (%): 100.00 | 0.29 | |
○Loop 2280 - - exec | 0.95 | 0.88 | 0.76 | 112 | 0.08 | 0.06 | 0.39 | |||
►qmcplusplus::BsplineFunctor<double>::evaluateV(int, int, int, double const*, double*) const | exec | 1.49 | 1.4 | 1.19 | 112 | 0.12 | 0.09 | Exe (%): 100.00 | 57.06 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 274 - BsplineFunctor.h:236-241 - exec | 1.36 | 1.28 | 1.09 | 112 | 0.11 | 0.09 | 0.74 | |||
○Loop 272 - BsplineFunctor.h:246-260 - exec | 0.1 | 0.13 | 0.08 | 112 | 0.03 | 0.02 | 748.20 | |||
○Loop 273 - BsplineFunctor.h:236-241 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_dgemv_t_intrinsics | libmkl_avx512.so.2 | 1.38 | 1.35 | 1.1 | 112 | 0.10 | 0.08 | Math (%): 100.00 | 416.39 | |
○mkl_blas_avx512_dgemv_n_intrinsics | libmkl_avx512.so.2 | 0.93 | 0.9 | 0.74 | 112 | 0.08 | 0.06 | Math (%): 100.00 | 428.20 | |
►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 0.87 | 0.8 | 0.69 | 112 | 0.07 | 0.06 | Exe (%): 100.00 | 394.26 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 299 - TwoBodyJastrowRef.h:324-331 - exec | 0.24 | 0.27 | 0.19 | 112 | 0.04 | 0.03 | 428.97 | |||
○Loop 300 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 298 - TwoBodyJastrowRef.h:324-331 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 301 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0.01 | 0 | 80 | 0.00 | 0.00 | 0.00 | |||
►Loop 295 - TwoBodyJastrowRef.h:324-349 - exec [...] | 0 | 0.01 | 0 | 40 | 0.00 | 0.00 | 0.00 | |||
○Loop 297 - TwoBodyJastrowRef.h:342-347 - exec | 0.6 | 0.6 | 0.48 | 112 | 0.06 | 0.05 | 394.55 | |||
○Loop 296 - TwoBodyJastrowRef.h:342-347 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0 | libmkl_avx512.so.2 | 0.77 | 0.73 | 0.62 | 112 | 0.06 | 0.05 | Math (%): 100.00 | 1865.57 | |
○unknown_function | Unknown module | 0.67 | 0.67 | 0.53 | 113 | 0.88 | 0.08 | Others (%): 100.00 | 0.06 | |
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<... | exec | 0.64 | 0.56 | 0.51 | 112 | 0.03 | 0.03 | Exe (%): 100.00 | 166.11 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
►Loop 883 - inner_product.hpp:82-155 - exec [...] | 0 | 0.01 | 0 | 92 | 0.00 | 0.00 | 0.00 | |||
○Loop 885 - inner_product.hpp:155-155 - exec [...] | 0.43 | 0.4 | 0.35 | 112 | 0.03 | 0.03 | 181.68 | |||
○Loop 887 - inner_product.hpp:82-83 - exec | 0.2 | 0.24 | 0.16 | 112 | 0.03 | 0.03 | 130.97 | |||
○Loop 886 - inner_product.hpp:82-83 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 884 - inner_product.hpp:155-155 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::BsplineFunctor<double>::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | exec | 0.59 | 0.58 | 0.47 | 112 | 0.06 | 0.05 | Exe (%): 100.00 | 114.55 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 271 - BsplineFunctor.h:291-297 - exec | 0.48 | 0.51 | 0.38 | 112 | 0.06 | 0.05 | 0.26 | |||
○Loop 269 - BsplineFunctor.h:303-338 - exec | 0.07 | 0.09 | 0.05 | 112 | 0.02 | 0.01 | 1019.77 | |||
○Loop 270 - BsplineFunctor.h:291-298 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | exec | 0.55 | 0.53 | 0.44 | 112 | 0.06 | 0.05 | Exe (%): 100.00 | 323.29 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 291 - TwoBodyJastrowRef.h:155-156 - exec | 0.15 | 0.17 | 0.12 | 112 | 0.03 | 0.02 | 308.78 | |||
○Loop 289 - TwoBodyJastrowRef.h:155-156 - exec | 0.15 | 0.18 | 0.12 | 112 | 0.03 | 0.02 | 348.82 | |||
○Loop 287 - TwoBodyJastrowRef.h:155-156 - exec | 0.14 | 0.18 | 0.12 | 112 | 0.03 | 0.02 | 364.70 | |||
○Loop 293 - stl_numeric.h:126-127 - exec [...] | 0.07 | 0.1 | 0.06 | 112 | 0.02 | 0.02 | 311.04 | |||
○Loop 294 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0.02 | 0 | 91 | 0.01 | 0.01 | 0.00 | |||
○Loop 286 - TwoBodyJastrowRef.h:155-156 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 292 - TwoBodyJastrowRef.h:0-0 - exec [...] | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 288 - TwoBodyJastrowRef.h:155-156 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 290 - TwoBodyJastrowRef.h:155-156 - exec | 0 | 0.01 | 0 | 16 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.45 | 0.47 | 0.36 | 112 | 0.06 | 0.05 | Exe (%): 100.00 | 177.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 872 - inner_product.hpp:155-155 - exec [...] | 0.44 | 0.46 | 0.35 | 112 | 0.06 | 0.05 | 181.79 | |||
○Loop 871 - inner_product.hpp:155-155 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○unknown_kernel_region | kernel | 0.42 | 0.56 | 0.34 | 113 | 1.85 | 0.11 | System (%): 85.28 Math (%): 13.39 OMP (%): 1.33 | 0.71 | |
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | exec | 0.37 | 0.43 | 0.3 | 112 | 0.05 | 0.04 | Exe (%): 100.00 | 278.97 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 873 - inner_product.hpp:155-155 - exec [...] | 0.27 | 0.35 | 0.22 | 112 | 0.04 | 0.03 | 288.00 | |||
○Loop 876 - inner_product.hpp:82-83 - exec | 0.08 | 0.11 | 0.07 | 112 | 0.02 | 0.02 | 287.81 | |||
○Loop 875 - DiracDeterminantRef.cpp:0-0 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 874 - inner_product.hpp:155-155 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<double, std::allocator<double> > const&, std::vector<double, st... | exec | 0.36 | 0.38 | 0.29 | 112 | 0.05 | 0.04 | Exe (%): 100.00 | 288.73 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
►Loop 781 - inner_product.hpp:82-83 - exec [...] | 0 | 0.01 | 0 | 91 | 0.00 | 0.00 | 0.00 | |||
○Loop 783 - inner_product.hpp:82-83 - exec | 0.35 | 0.37 | 0.28 | 112 | 0.05 | 0.04 | 297.69 | |||
○Loop 782 - inner_product.hpp:82-83 - exec | 0 | 0 | 0 | 9 | 0.00 | 0.00 | 0.00 | |||
►__intel_avx_rep_memcpy | exec | 0.2 | 0.24 | 0.16 | 112 | 0.04 | 0.03 | Memory (%): 100.00 | 0.08 | |
○Loop 2278 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2279 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double, ... | exec | 0.18 | 0.17 | 0.14 | 112 | 0.02 | 0.02 | Exe (%): 100.00 | 302.58 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 303 - TwoBodyJastrowRef.h:423-427 - exec [...] | 0 | 0.01 | 0 | 13 | 0.00 | 0.00 | 0.00 | |||
►Loop 304 - TwoBodyJastrowRef.h:268-420 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 305 - stl_algobase.h:200-754 - exec [...] | 0 | 0.01 | 0 | 86 | 0.00 | 0.00 | 0.00 | |||
○Loop 306 - TwoBodyJastrowRef.h:393-398 - exec | 0.06 | 0.09 | 0.04 | 112 | 0.02 | 0.01 | 318.65 | |||
○Loop 314 - TwoBodyJastrowRef.h:381-382 - exec | 0.03 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 208.96 | |||
○Loop 310 - TwoBodyJastrowRef.h:381-382 - exec | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 208.68 | |||
○Loop 312 - TwoBodyJastrowRef.h:381-382 - exec | 0.02 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | 215.31 | |||
○Loop 308 - TwoBodyJastrowRef.h:388-391 - exec | 0.02 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 840.08 | |||
○Loop 316 - TwoBodyJastrowRef.h:375-376 - exec | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 304.38 | |||
○Loop 318 - stl_numeric.h:126-127 - exec [...] | 0.01 | 0.02 | 0 | 112 | 0.01 | 0.00 | 0.00 | |||
○Loop 307 - TwoBodyJastrowRef.h:388-391 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 317 - stl_numeric.h:126-127 - exec [...] | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 311 - TwoBodyJastrowRef.h:381-382 - exec | 0 | 0 | 0 | 7 | 0.00 | 0.00 | 0.00 | |||
○Loop 315 - TwoBodyJastrowRef.h:375-376 - exec | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○Loop 313 - TwoBodyJastrowRef.h:381-382 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 309 - TwoBodyJastrowRef.h:381-382 - exec | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○Loop 319 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0 | 0 | 24 | 0.00 | 0.00 | 0.00 | |||
○mkl_lapack_xdlaswp | libmkl_core.so.2 | 0.13 | 0.15 | 0.1 | 112 | 0.02 | 0.02 | Math (%): 100.00 | 0.00 | |
○mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0 | libmkl_avx512.so.2 | 0.11 | 0.16 | 0.09 | 112 | 0.03 | 0.02 | Math (%): 100.00 | 1541.91 | |
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector&l... | exec | 0.1 | 0.09 | 0.08 | 112 | 0.00 | 0.00 | Exe (%): 100.00 | 212.10 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
►Loop 866 - inner_product.hpp:82-155 - exec [...] | 0 | 0 | 0 | 14 | 0.00 | 0.00 | 0.00 | |||
○Loop 870 - inner_product.hpp:155-155 - exec [...] | 0.08 | 0.09 | 0.07 | 112 | 0.01 | 0.01 | 182.03 | |||
○Loop 868 - inner_product.hpp:82-83 - exec | 0.02 | 0.03 | 0.02 | 112 | 0.01 | 0.01 | 210.33 | |||
○Loop 867 - inner_product.hpp:82-83 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 869 - inner_product.hpp:155-155 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_dgemm_dcopy_right8_ea | libmkl_avx512.so.2 | 0.07 | 0.09 | 0.05 | 112 | 0.02 | 0.02 | Math (%): 100.00 | 0.00 | |
►qmcplusplus::NonLocalPP<double>::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&) | exec | 0.07 | 0.11 | 0.06 | 112 | 0.02 | 0.02 | Exe (%): 100.00 | 0.94 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 57 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 51 - NonLocalPP.hpp:122-135 - exec [...] | 0 | 0.02 | 0 | 49 | 0.01 | 0.00 | 0.00 | |||
►Loop 52 - NonLocalPP.hpp:126-135 - exec [...] | 0.06 | 0.09 | 0.05 | 112 | 0.02 | 0.02 | 0.62 | |||
○Loop 53 - NonLocalPP.hpp:131-132 - exec [...] | 0.01 | 0.02 | 0.01 | 91 | 0.01 | 0.00 | 2.55 | |||
○Loop 54 - NonLocalPP.hpp:110-111 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 55 - stl_uninitialized.h:526-526 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 58 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 56 - stl_uninitialized.h:526-526 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | exec | 0.07 | 0.11 | 0.06 | 112 | 0.02 | 0.02 | Exe (%): 100.00 | 275.82 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 212 - OneBodyJastrowRef.h:186-187 - exec | 0.02 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | 246.71 | |||
○Loop 207 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.02 | 0.01 | 112 | 0.01 | 0.01 | 324.91 | |||
○Loop 204 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.02 | 0.01 | 112 | 0.01 | 0.01 | 307.16 | |||
○Loop 208 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 316.01 | |||
○Loop 205 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 206 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 202 - stl_numeric.h:126-127 - exec [...] | 0 | 0.01 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
►Loop 209 - OneBodyJastrowRef.h:186-194 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 210 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 203 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 201 - OneBodyJastrowRef.h:0-0 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 211 - OneBodyJastrowRef.h:186-187 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::DiracMatrix<double, double>::invert_transpose(qmcplusplus::Matrix<double, std::allocator<double> > const&, qmcplusplus::Matrix<double, std::allocator<double> >&, double&, double&) | exec | 0.07 | 0.06 | 0.06 | 112 | 0.01 | 0.00 | Exe (%): 100.00 | 0.03 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 848 - DiracMatrix.h:112-113 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 847 - DiracMatrix.h:31-35 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 849 - DiracMatrix.h:112-113 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 846 - DiracMatrix.h:31-35 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►Loop 851 - inner_product.hpp:210-212 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 852 - inner_product.hpp:210-212 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 853 - inner_product.hpp:210-212 - exec | 0 | 0 | 0 | 7 | 0.00 | 0.00 | 0.00 | |||
○Loop 854 - inner_product.hpp:211-212 - exec | 0.07 | 0.06 | 0.06 | 112 | 0.01 | 0.00 | 0.00 | |||
○Loop 850 - inner_product.hpp:211-212 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_dtrsm_kernel_ll_0 | libmkl_avx512.so.2 | 0.05 | 0.09 | 0.04 | 112 | 0.02 | 0.01 | Math (%): 100.00 | 1987.56 | |
○__kmp_api_omp_get_level | libiomp5.so | 0.04 | 0.06 | 0.03 | 112 | 0.02 | 0.01 | OMP (%): 100.00 | 8.67 | |
○__kmp_get_global_thread_id_reg | libiomp5.so | 0.03 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | OMP (%): 100.00 | 15.65 | |
○__libm_exp_z0 | exec | 0.03 | 0.07 | 0.03 | 112 | 0.02 | 0.01 | Math (%): 100.00 | 56.69 | |
►qmcplusplus::Vector<double, std::allocator<double> >::resize(unsigned long, double) | exec | 0.03 | 0.04 | 0.02 | 109 | 0.01 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 254 - stl_algobase.h:752-754 - exec | 0.03 | 0.04 | 0.02 | 109 | 0.01 | 0.01 | 0.00 | |||
○Loop 253 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 251 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 252 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check() | libiomp5.so | 0.03 | 0.07 | 0.02 | 109 | 0.02 | 0.01 | OMP (%): 100.00 | 0.00 | |
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::resize(int, int) | exec | 0.03 | 0.04 | 0.02 | 111 | 0.01 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 895 - stl_algobase.h:740-742 - exec | 0.03 | 0.04 | 0.02 | 111 | 0.01 | 0.01 | 0.00 | |||
○Loop 890 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 893 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 892 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 889 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 891 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 894 - stl_algobase.h:741-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 888 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○__dynamic_cast | libstdc++.so.6.0.25 | 0.03 | 0.06 | 0.03 | 109 | 0.02 | 0.01 | Others (%): 100.00 | 1.20 | |
○mkl_blas_avx512_dgemm_dcopy_down24_ea | libmkl_avx512.so.2 | 0.03 | 0.06 | 0.03 | 112 | 0.01 | 0.01 | Math (%): 100.00 | 3.07 | |
►qmcplusplus::TimerType<std::chrono::_V2::system_clock>::start() | exec | 0.03 | 0.07 | 0.02 | 111 | 0.02 | 0.01 | Exe (%): 100.00 | 0.53 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 1453 - NewTimer.cpp:53-54 - exec | 0 | 0.01 | 0 | 9 | 0.00 | 0.00 | 0.00 | |||
○Loop 1454 - NewTimer.cpp:53-54 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1 | libmkl_avx512.so.2 | 0.03 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | Math (%): 100.00 | 2269.67 | |
►miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double, ... | exec | 0.02 | 0.02 | 0.01 | 112 | 0.00 | 0.00 | Exe (%): 100.00 | 354.71 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 228 - stl_numeric.h:126-127 - exec | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 226 - OneBodyJastrowRef.h:171-172 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 225 - OneBodyJastrowRef.h:169-169 - exec [...] | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
○Loop 227 - OneBodyJastrowRef.h:0-0 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 229 - OneBodyJastrowRef.h:171-172 - exec | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
►Loop 233 - OneBodyJastrowRef.h:169-169 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 232 - TinyVectorOps.h:49-49 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 234 - OneBodyJastrowRef.h:109-194 - exec [...] | 0 | 0 | 0 | 38 | 0.00 | 0.00 | 0.00 | |||
○Loop 245 - OneBodyJastrowRef.h:0-0 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 239 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0.01 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 243 - OneBodyJastrowRef.h:186-187 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 246 - stl_numeric.h:126-127 - exec [...] | 0 | 0 | 0 | 91 | 0.00 | 0.00 | 0.00 | |||
○Loop 238 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 237 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 244 - OneBodyJastrowRef.h:186-187 - exec | 0 | 0.01 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 240 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0.01 | 0 | 108 | 0.00 | 0.00 | 0.00 | |||
○Loop 235 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 236 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0.01 | 0 | 111 | 0.00 | 0.00 | 0.00 | |||
►Loop 241 - OneBodyJastrowRef.h:186-194 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 242 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 230 - OneBodyJastrowRef.h:171-172 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 231 - OneBodyJastrowRef.h:169-169 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 0.02 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | Exe (%): 100.00 | 50.65 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
►Loop 320 - TwoBodyJastrowRef.h:107-132 - exec [...] | 0.01 | 0.02 | 0.01 | 93 | 0.01 | 0.00 | 9.90 | |||
○Loop 321 - TwoBodyJastrowRef.h:127-132 - exec [...] | 0 | 0.01 | 0 | 103 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::TimerType<std::chrono::_V2::system_clock>::stop() | exec | 0.02 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | Exe (%): 100.00 | 15.03 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 1455 - NewTimer.cpp:99-100 - exec | 0 | 0 | 0 | 10 | 0.00 | 0.00 | 0.00 | |||
○Loop 1456 - NewTimer.cpp:99-100 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►main.extracted.110 | exec | 0.02 | 0.04 | 0.02 | 109 | 0.01 | 0.01 | Exe (%): 100.00 | 0.33 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
►Loop 24 - new_allocator.h:101-125 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 32 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 34 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 33 - stl_algobase.h:741-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 27 - miniqmc.cpp:425-461 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 28 - miniqmc.cpp:429-458 - exec [...] | 0.02 | 0.04 | 0.02 | 108 | 0.01 | 0.01 | 0.08 | |||
○Loop 30 - StdRandom.h:102-103 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 29 - RandomGenerator.h:51-55 - exec [...] | 0 | 0 | 0 | 9 | 0.00 | 0.00 | 0.00 | |||
○Loop 26 - NonLocalPP.hpp:110-111 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 31 - stl_algobase.h:741-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 25 - Mallocator.hpp:69-69 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_xdgemv | libmkl_avx512.so.2 | 0.02 | 0.03 | 0.01 | 104 | 0.01 | 0.01 | Math (%): 100.00 | 8.60 | |
○__tls_get_addr | ld-2.28.so | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | System (%): 92.07 OMP (%): 7.93 | 14.98 | |
○_dl_update_slotinfo | ld-2.28.so | 0.02 | 0.04 | 0.02 | 111 | 0.01 | 0.01 | System (%): 68.20 OMP (%): 31.80 | 13.98 | |
○qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector<double, 3u> const&, int, bool) | exec | 0.02 | 0.05 | 0.02 | 111 | 0.01 | 0.01 | Exe (%): 100.00 | 4.90 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○__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&) co... | libstdc++.so.6.0.25 | 0.02 | 0.05 | 0.02 | 109 | 0.01 | 0.01 | Others (%): 100.00 | 3.25 | |
○update_get_addr | ld-2.28.so | 0.01 | 0.03 | 0.01 | 97 | 0.01 | 0.01 | OMP (%): 100.00 System (%): 0.00 | 8.70 | |
○qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::update(int) | exec | 0.01 | 0.02 | 0.01 | 94 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector<double, 3u> const&, bool) | exec | 0.01 | 0.02 | 0.01 | 90 | 0.01 | 0.01 | Exe (%): 100.00 | 0.15 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() const | exec | 0.01 | 0.02 | 0.01 | 78 | 0.01 | 0.01 | Exe (%): 100.00 | 0.20 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○qmcplusplus::SoaDistanceTableAAOMPTarget<double, 3u, 40>::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector<double, 3u> const&, int, bool) | exec | 0.01 | 0.04 | 0.01 | 95 | 0.01 | 0.01 | Exe (%): 100.00 | 5.20 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
►qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.02 | 0 | 60 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 79 - WaveFunction.cpp:225-228 - exec [...] | 0 | 0.01 | 0 | 31 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.02 | 0.01 | 77 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 76 - WaveFunction.cpp:185-188 - exec [...] | 0.01 | 0.02 | 0 | 64 | 0.00 | 0.00 | 0.00 | |||
►double std::uniform_real_distribution<double>::operator()<std::mersenne_twister_engine<unsigned long, 32ul, 624ul, 397ul, 31ul, 2567483615ul, 11ul, 4294967295ul, 7ul, 2636928640ul, 15ul, 4022730752ul, 18ul, 1812433253ul> >(std::mersenne_t... | exec | 0.01 | 0.02 | 0 | 74 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
►Loop 60 - random.tcc:401-3332 - exec [...] | 0 | 0.01 | 0 | 13 | 0.00 | 0.00 | 0.00 | |||
○Loop 61 - random.tcc:401-406 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 62 - random.tcc:409-414 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○DGEMV | libmkl_intel_lp64.so.2 | 0.01 | 0.02 | 0 | 69 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
►qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | exec | 0.01 | 0.03 | 0.01 | 82 | 0.01 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 77 - WaveFunction.cpp:198-201 - exec [...] | 0 | 0.01 | 0 | 49 | 0.00 | 0.00 | 0.00 | |||
○miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.02 | 0.01 | 74 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○__kmp_api_omp_in_parallel | libiomp5.so | 0.01 | 0.03 | 0.01 | 72 | 0.01 | 0.01 | OMP (%): 100.00 | 0.00 | |
○__kmp_get_ancestor_thread_num | libiomp5.so | 0.01 | 0.02 | 0.01 | 70 | 0.01 | 0.00 | OMP (%): 100.00 | 0.00 | |
►qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 0.01 | 0.03 | 0.01 | 94 | 0.01 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
►Loop 83 - WaveFunction.cpp:263-274 - exec [...] | 0 | 0.02 | 0 | 45 | 0.01 | 0.00 | 0.00 | |||
○Loop 85 - WaveFunction.cpp:273-274 - exec | 0 | 0 | 0 | 17 | 0.00 | 0.00 | 0.00 | |||
○Loop 84 - WaveFunction.cpp:273-274 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 86 - WaveFunction.cpp:273-274 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::Vector<double, qmcplusplus::OMPallocator<double, qmcplusplus::Mallocator<double, 64ul> > >::resize(unsigned long, double) | exec | 0.01 | 0.02 | 0 | 75 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 940 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 941 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 939 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 942 - stl_algobase.h:752-754 - exec | 0 | 0.01 | 0 | 60 | 0.00 | 0.00 | 0.00 | |||
○unknown_function | exec | 0.01 | 0.02 | 0 | 101 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | |
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.02 | 0.01 | 96 | 0.01 | 0.01 | Exe (%): 100.00 | 21.10 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 878 - DelayedUpdate.h:147-148 - exec | 0 | 0 | 0 | 7 | 0.00 | 0.00 | 0.00 | |||
○Loop 879 - DelayedUpdate.h:137-138 - exec | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
○Loop 877 - DelayedUpdate.h:147-148 - exec | 0 | 0 | 0 | 8 | 0.00 | 0.00 | 0.00 | |||
○Loop 880 - DelayedUpdate.h:137-138 - exec | 0 | 0.01 | 0 | 23 | 0.00 | 0.00 | 0.00 | |||
○miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.02 | 0.01 | 82 | 0.01 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
►qmcplusplus::ParticleSet::update(bool) | exec | 0.01 | 0.03 | 0.01 | 93 | 0.01 | 0.01 | Exe (%): 100.00 | 1.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 1090 - ParticleSet.cpp:242-243 - exec [...] | 0.01 | 0.02 | 0.01 | 77 | 0.01 | 0.00 | 0.00 | |||
►qmcplusplus::ParticleSet::acceptMove(int) | exec | 0.01 | 0.03 | 0.01 | 86 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 1103 - ParticleSet.cpp:389-390 - exec [...] | 0 | 0.01 | 0 | 38 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::computeU3(qmcplusplus::ParticleSet&, int, double const*) | exec | 0.01 | 0.03 | 0.01 | 99 | 0.01 | 0.01 | Exe (%): 100.00 | 2.40 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
○Loop 268 - OneBodyJastrowRef.h:214-219 - exec [...] | 0.01 | 0.03 | 0.01 | 96 | 0.01 | 0.01 | 0.80 | |||
○Loop 267 - OneBodyJastrowRef.h:231-237 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_xdger | libmkl_avx512.so.2 | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | Math (%): 100.00 | 185.86 | |
○__libm_logl_ex | exec | 0.01 | 0.02 | 0.01 | 112 | 0.01 | 0.00 | Exe (%): 100.00 | 48.70 | |
►miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 0.01 | 0.02 | 0.01 | 81 | 0.01 | 0.00 | Exe (%): 100.00 | 5.55 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |
►Loop 247 - OneBodyJastrowRef.h:134-155 - exec [...] | 0 | 0.02 | 0 | 59 | 0.00 | 0.00 | 0.00 | |||
○Loop 249 - OneBodyJastrowRef.h:143-146 - exec [...] | 0 | 0.01 | 0 | 33 | 0.00 | 0.00 | 0.00 | |||
○Loop 248 - BsplineFunctor.h:166-181 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 0.01 | 0.02 | 0 | 70 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5202/intel/miniqmc/b... |