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 | 23.13 | 27.59 | 26.04 | 112 | 0.96 | 1.17 | Exe (%): 100.00 | 225.87 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
►Loop 745 - MultiBsplineRef.hpp:42-71 - exec [...] | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 30.10 | |||
►Loop 746 - MultiBsplineRef.hpp:63-71 - exec | 0 | 0.02 | 0.01 | 112 | 0.00 | 0.00 | 329.11 | |||
►Loop 747 - MultiBsplineRef.hpp:64-71 - exec | 0 | 0.02 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 748 - MultiBsplineRef.hpp:68-70 - exec | 23.1 | 27.55 | 26 | 112 | 0.96 | 1.17 | 225.80 | |||
○Loop 744 - einspline_spo_ref.hpp:183-187 - exec [...] | 0 | 0.01 | 0 | 27 | 0.00 | 0.00 | 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 | 17.33 | 20.92 | 19.51 | 112 | 0.39 | 0.40 | Exe (%): 100.00 | 440.13 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
►Loop 751 - MultiBsplineRef.hpp:187-286 - exec [...] | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 23.28 | |||
○Loop 753 - MultiBsplineRef.hpp:276-286 - exec | 0.32 | 0.45 | 0.36 | 112 | 0.04 | 0.04 | 305.85 | |||
►Loop 754 - MultiBsplineRef.hpp:226-262 - exec [...] | 0.01 | 0.03 | 0.01 | 99 | 0.01 | 0.01 | 3.50 | |||
►Loop 755 - MultiBsplineRef.hpp:227-262 - exec [...] | 0.03 | 0.08 | 0.04 | 112 | 0.01 | 0.01 | 20.46 | |||
►Loop 760 - MultiBsplineRef.hpp:242-262 - exec [...] | 0.9 | 1.25 | 1.01 | 112 | 0.10 | 0.11 | 292.69 | |||
○Loop 762 - MultiBsplineRef.hpp:242-262 - exec [...] | 10.23 | 14.6 | 11.52 | 112 | 0.83 | 0.90 | 473.86 | |||
○Loop 761 - MultiBsplineRef.hpp:242-261 - exec [...] | 5 | 6.85 | 5.63 | 112 | 0.68 | 0.75 | 483.29 | |||
○Loop 759 - MultiBsplineRef.hpp:242-261 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 758 - MultiBsplineRef.hpp:242-262 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 757 - MultiBsplineRef.hpp:242-262 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 756 - MultiBsplineRef.hpp:242-262 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 752 - MultiBsplineRef.hpp:276-286 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 749 - einspline_spo_ref.hpp:219-227 - exec [...] | 0 | 0 | 0 | 12 | 0.00 | 0.00 | 0.00 | |||
○Loop 750 - einspline_spo_ref.hpp:223-227 - exec [...] | 0.81 | 1.13 | 0.91 | 112 | 0.07 | 0.08 | 0.00 | |||
○mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1 | libmkl_avx512.so.2 | 14.38 | 16.57 | 16.19 | 112 | 0.34 | 0.32 | Math (%): 100.00 | 1348.35 | |
○mkl_blas_avx512_dgemm_kernel_0 | libmkl_avx512.so.2 | 12.96 | 15.24 | 14.59 | 112 | 0.29 | 0.31 | Math (%): 100.00 | 1367.64 | |
►qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::evaluate(qmcplusplus::ParticleSet&) | exec | 8.25 | 9.88 | 9.29 | 112 | 0.28 | 0.34 | Exe (%): 100.00 | 264.28 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 1972 - Mallocator.hpp:78-78 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 1969 - SoaDistanceTableABOMPTarget.h:194-196 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1968 - SoaDistanceTableABOMPTarget.h:195-196 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1970 - VectorSoAContainer.h:151-176 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1971 - Mallocator.hpp:78-78 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1967 - SoaDistanceTableABOMPTarget.h:194-196 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 1963 - SoaDistanceTableABOMPTarget.h:214-228 - exec [...] | 0 | 0.02 | 0 | 109 | 0.00 | 0.00 | 0.00 | |||
►Loop 1965 - SoaDistanceTableABOMPTarget.h:215-228 - exec [...] | 0 | 0.02 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 1964 - SoaDistanceTableABOMPTarget.h:228-228 - exec [...] | 8.24 | 9.86 | 9.27 | 112 | 0.28 | 0.34 | 264.80 | |||
○Loop 1966 - SoaDistanceTableABOMPTarget.h:194-196 - exec | 0 | 0.02 | 0 | 35 | 0.00 | 0.00 | 0.00 | |||
○Loop 1973 - stl_construct.h:98-107 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::SoaDistanceTableAAOMPTarget<double, 3u, 40>::update(int) | exec | 6.65 | 8.22 | 7.49 | 112 | 0.28 | 0.30 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 1724 - SoaDistanceTableAAOMPTarget.h:440-442 - exec [...] | 6.65 | 8.22 | 7.49 | 112 | 0.28 | 0.30 | 0.00 | |||
►__intel_avx_rep_memset | exec | 1.95 | 2.48 | 2.2 | 112 | 0.12 | 0.12 | Memory (%): 100.00 | 0.18 | |
○Loop 2247 - - exec | 1.09 | 1.44 | 1.23 | 112 | 0.08 | 0.09 | 0.26 | |||
►void qmcplusplus::DTD_BConds<double, 3u, 40>::computeDistances<qmcplusplus::TinyVector<double, 3u>, qmcplusplus::VectorSoAContainer<double, 3u, qmcplusplus::Mallocator<double, 32ul> >, qmcplusplus::VectorSoAContainer<double, 3... | exec | 1.77 | 2.51 | 1.99 | 112 | 0.15 | 0.16 | Exe (%): 100.00 | 1080.09 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 1227 - ParticleBConds3DSoa.h:235-256 - exec | 1.76 | 2.5 | 1.98 | 112 | 0.15 | 0.16 | 1085.09 | |||
○Loop 1226 - ParticleBConds3DSoa.h:235-255 - exec | 0 | 0.01 | 0 | 109 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::BsplineFunctor<double>::evaluateV(int, int, int, double const*, double*) const | exec | 1.63 | 2.27 | 1.84 | 112 | 0.13 | 0.15 | Exe (%): 100.00 | 35.97 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 252 - BsplineFunctor.h:236-241 - exec | 1.51 | 2.15 | 1.7 | 112 | 0.13 | 0.15 | 0.18 | |||
○Loop 250 - BsplineFunctor.h:246-260 - exec [...] | 0.1 | 0.18 | 0.12 | 112 | 0.02 | 0.03 | 515.62 | |||
○Loop 251 - BsplineFunctor.h:236-241 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 249 - BsplineFunctor.h:246-260 - exec | 0 | 0.03 | 0.01 | 112 | 0.00 | 0.01 | 270.71 | |||
○kmp_flag_64<false, true>::wait(kmp_info*, int, void*) | libiomp5.so | 1.38 | 3.48 | 1.56 | 112 | 0.43 | 0.47 | OMP (%): 100.00 | 0.00 | |
○mkl_blas_avx512_dgemv_t_intrinsics | libmkl_avx512.so.2 | 1.33 | 1.66 | 1.49 | 112 | 0.08 | 0.09 | Math (%): 100.00 | 317.05 | |
►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 1.13 | 1.47 | 1.27 | 112 | 0.08 | 0.08 | Exe (%): 100.00 | 224.88 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 278 - TwoBodyJastrowRef.h:324-331 - exec | 0.32 | 0.47 | 0.36 | 112 | 0.04 | 0.04 | 263.08 | |||
►Loop 273 - TwoBodyJastrowRef.h:324-349 - exec [...] | 0 | 0 | 0 | 38 | 0.00 | 0.00 | 0.00 | |||
○Loop 275 - TwoBodyJastrowRef.h:342-347 - exec | 0.79 | 1.07 | 0.89 | 112 | 0.07 | 0.07 | 213.66 | |||
○Loop 274 - TwoBodyJastrowRef.h:342-347 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 280 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0.03 | 0 | 91 | 0.00 | 0.00 | 0.00 | |||
○Loop 276 - TwoBodyJastrowRef.h:324-331 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 279 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 277 - TwoBodyJastrowRef.h:324-331 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0 | libmkl_avx512.so.2 | 0.94 | 1.17 | 1.06 | 112 | 0.05 | 0.06 | Math (%): 100.00 | 1464.82 | |
○mkl_blas_avx512_dgemv_n_intrinsics | libmkl_avx512.so.2 | 0.84 | 1.1 | 0.94 | 112 | 0.06 | 0.07 | Math (%): 100.00 | 346.97 | |
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<... | exec | 0.81 | 1.16 | 0.91 | 112 | 0.13 | 0.14 | Exe (%): 100.00 | 92.81 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
►Loop 864 - inner_product.hpp:82-155 - exec [...] | 0 | 0.01 | 0 | 74 | 0.00 | 0.00 | 0.00 | |||
○Loop 866 - inner_product.hpp:155-155 - exec [...] | 0.55 | 0.81 | 0.62 | 112 | 0.09 | 0.10 | 102.00 | |||
○Loop 868 - inner_product.hpp:82-83 - exec | 0.25 | 0.46 | 0.28 | 112 | 0.05 | 0.06 | 75.39 | |||
○Loop 865 - inner_product.hpp:155-155 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 867 - inner_product.hpp:82-83 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○unknown_function | Unknown module | 0.73 | 0.95 | 0.82 | 113 | 3.70 | 0.10 | Others (%): 100.00 | 0.04 | |
►qmcplusplus::BsplineFunctor<double>::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | exec | 0.65 | 0.87 | 0.73 | 112 | 0.06 | 0.06 | Exe (%): 100.00 | 80.71 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 248 - BsplineFunctor.h:291-298 - exec | 0.55 | 0.75 | 0.62 | 112 | 0.05 | 0.06 | 0.03 | |||
○Loop 246 - BsplineFunctor.h:303-338 - exec [...] | 0.06 | 0.14 | 0.07 | 112 | 0.02 | 0.02 | 806.59 | |||
○Loop 245 - BsplineFunctor.h:303-338 - exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 184.31 | |||
○Loop 247 - BsplineFunctor.h:291-298 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.52 | 0.72 | 0.59 | 112 | 0.06 | 0.06 | Exe (%): 100.00 | 108.86 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 853 - inner_product.hpp:155-155 - exec [...] | 0.52 | 0.72 | 0.59 | 112 | 0.06 | 0.06 | 108.63 | |||
○Loop 852 - inner_product.hpp:155-155 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | exec | 0.47 | 0.65 | 0.53 | 112 | 0.04 | 0.05 | Exe (%): 100.00 | 278.91 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 269 - TwoBodyJastrowRef.h:155-156 - exec | 0.13 | 0.23 | 0.15 | 112 | 0.03 | 0.03 | 279.49 | |||
○Loop 267 - TwoBodyJastrowRef.h:155-156 - exec | 0.13 | 0.22 | 0.14 | 112 | 0.03 | 0.03 | 303.10 | |||
○Loop 265 - TwoBodyJastrowRef.h:155-156 - exec | 0.13 | 0.23 | 0.15 | 112 | 0.03 | 0.03 | 277.59 | |||
○Loop 271 - stl_numeric.h:126-127 - exec [...] | 0.06 | 0.11 | 0.07 | 112 | 0.02 | 0.02 | 302.19 | |||
○Loop 268 - TwoBodyJastrowRef.h:155-156 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 264 - TwoBodyJastrowRef.h:155-156 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 270 - TwoBodyJastrowRef.h:0-0 - exec [...] | 0 | 0.01 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
○Loop 272 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0.02 | 0 | 101 | 0.00 | 0.00 | 0.00 | |||
○Loop 266 - TwoBodyJastrowRef.h:155-156 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | exec | 0.33 | 0.56 | 0.38 | 112 | 0.04 | 0.05 | Exe (%): 100.00 | 222.00 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 854 - inner_product.hpp:155-155 - exec [...] | 0.24 | 0.41 | 0.27 | 112 | 0.04 | 0.04 | 234.17 | |||
○Loop 857 - inner_product.hpp:82-83 - exec | 0.09 | 0.16 | 0.1 | 112 | 0.02 | 0.02 | 210.05 | |||
○Loop 855 - inner_product.hpp:155-155 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 856 - DiracDeterminantRef.cpp:0-0 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○unknown_kernel_region | kernel | 0.32 | 0.62 | 0.36 | 113 | 0.92 | 0.13 | System (%): 83.65 Math (%): 14.88 OMP (%): 1.46 | 0.84 | |
►qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<double, std::allocator<double> > const&, std::vector<double, st... | exec | 0.32 | 0.46 | 0.36 | 112 | 0.04 | 0.05 | Exe (%): 100.00 | 235.18 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
►Loop 763 - inner_product.hpp:82-83 - exec [...] | 0 | 0.02 | 0 | 102 | 0.00 | 0.00 | 0.00 | |||
○Loop 765 - inner_product.hpp:82-83 - exec | 0.32 | 0.46 | 0.36 | 112 | 0.04 | 0.05 | 234.25 | |||
○Loop 764 - inner_product.hpp:82-83 - exec | 0 | 0 | 0 | 7 | 0.00 | 0.00 | 0.00 | |||
○pthread_spin_lock | libpthread-2.28.so | 0.29 | 0.66 | 0.33 | 59 | 0.15 | 0.17 | Pthread (%): 100.00 | 0.00 | |
►__intel_avx_rep_memcpy | exec | 0.26 | 0.38 | 0.29 | 112 | 0.04 | 0.04 | Memory (%): 100.00 | 0.03 | |
○Loop 2245 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2246 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_lapack_xdlaswp | libmkl_core.so.2 | 0.2 | 0.31 | 0.22 | 112 | 0.03 | 0.04 | Math (%): 100.00 | 0.00 | |
○mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0 | libmkl_avx512.so.2 | 0.15 | 0.26 | 0.16 | 112 | 0.02 | 0.03 | Math (%): 100.00 | 1479.00 | |
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector&l... | exec | 0.13 | 0.23 | 0.14 | 112 | 0.04 | 0.04 | Exe (%): 100.00 | 121.32 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
►Loop 847 - inner_product.hpp:82-155 - exec [...] | 0 | 0 | 0 | 17 | 0.00 | 0.00 | 0.00 | |||
○Loop 851 - inner_product.hpp:155-155 - exec [...] | 0.1 | 0.18 | 0.11 | 112 | 0.03 | 0.03 | 116.08 | |||
○Loop 849 - inner_product.hpp:82-83 - exec | 0.03 | 0.07 | 0.03 | 112 | 0.01 | 0.01 | 139.74 | |||
○Loop 850 - inner_product.hpp:155-155 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 848 - inner_product.hpp:82-83 - 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 | 0.13 | 0.2 | 0.14 | 112 | 0.02 | 0.02 | Exe (%): 100.00 | 302.56 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 282 - TwoBodyJastrowRef.h:423-427 - exec [...] | 0 | 0 | 0 | 13 | 0.00 | 0.00 | 0.00 | |||
►Loop 283 - TwoBodyJastrowRef.h:268-420 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 284 - TwoBodyJastrowRef.h:268-420 - exec [...] | 0 | 0.02 | 0 | 80 | 0.00 | 0.00 | 0.00 | |||
○Loop 286 - TwoBodyJastrowRef.h:393-398 - exec | 0.04 | 0.08 | 0.04 | 112 | 0.01 | 0.01 | 318.36 | |||
○Loop 294 - TwoBodyJastrowRef.h:381-382 - exec | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 205.98 | |||
○Loop 292 - TwoBodyJastrowRef.h:381-382 - exec | 0.02 | 0.06 | 0.02 | 112 | 0.01 | 0.01 | 212.93 | |||
○Loop 296 - TwoBodyJastrowRef.h:375-376 - exec | 0.02 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | 317.16 | |||
○Loop 290 - TwoBodyJastrowRef.h:381-382 - exec | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 209.93 | |||
○Loop 288 - TwoBodyJastrowRef.h:388-391 - exec | 0.01 | 0.03 | 0.02 | 112 | 0.01 | 0.01 | 422.51 | |||
○Loop 295 - TwoBodyJastrowRef.h:375-376 - exec | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
○Loop 287 - TwoBodyJastrowRef.h:388-391 - exec | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○Loop 298 - stl_numeric.h:126-127 - exec [...] | 0 | 0.04 | 0.01 | 112 | 0.01 | 0.01 | 205.26 | |||
○Loop 293 - TwoBodyJastrowRef.h:381-382 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 291 - TwoBodyJastrowRef.h:381-382 - exec | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
○Loop 289 - TwoBodyJastrowRef.h:381-382 - exec | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○Loop 297 - stl_numeric.h:126-127 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 299 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0 | 0 | 19 | 0.00 | 0.00 | 0.00 | |||
○Loop 285 - TwoBodyJastrowRef.h:388-391 - 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 | 0.13 | 0.32 | 0.15 | 112 | 0.06 | 0.07 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 827 - DiracMatrix.h:31-35 - exec [...] | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 830 - DiracMatrix.h:112-113 - exec | 0 | 0 | 0 | 9 | 0.00 | 0.00 | 0.00 | |||
○Loop 828 - DiracMatrix.h:31-35 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 829 - DiracMatrix.h:112-113 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 832 - inner_product.hpp:210-212 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 833 - inner_product.hpp:210-212 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 834 - inner_product.hpp:210-212 - exec | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 835 - inner_product.hpp:211-212 - exec | 0.13 | 0.32 | 0.15 | 112 | 0.06 | 0.07 | 0.00 | |||
○Loop 831 - inner_product.hpp:211-212 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_dgemm_dcopy_right8_ea | libmkl_avx512.so.2 | 0.1 | 0.15 | 0.11 | 112 | 0.02 | 0.02 | Math (%): 100.00 | 0.00 | |
►qmcplusplus::NonLocalPP<double>::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&) | exec | 0.07 | 0.12 | 0.08 | 112 | 0.02 | 0.02 | Exe (%): 100.00 | 0.88 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 52 - NonLocalPP.hpp:110-111 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 53 - stl_uninitialized.h:526-526 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 49 - NonLocalPP.hpp:122-135 - exec [...] | 0 | 0.03 | 0 | 71 | 0.00 | 0.00 | 0.00 | |||
►Loop 50 - NonLocalPP.hpp:126-135 - exec [...] | 0.05 | 0.1 | 0.06 | 112 | 0.01 | 0.02 | 0.51 | |||
○Loop 51 - NonLocalPP.hpp:131-132 - exec [...] | 0.01 | 0.03 | 0.01 | 104 | 0.01 | 0.01 | 3.90 | |||
○Loop 55 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 54 - stl_uninitialized.h:526-526 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 56 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_dtrsm_kernel_ll_0 | libmkl_avx512.so.2 | 0.06 | 0.12 | 0.07 | 112 | 0.02 | 0.02 | Math (%): 100.00 | 1262.95 | |
►miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | exec | 0.06 | 0.11 | 0.06 | 112 | 0.01 | 0.02 | Exe (%): 100.00 | 303.09 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 189 - OneBodyJastrowRef.h:186-187 - exec | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 254.61 | |||
○Loop 185 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.04 | 0.01 | 112 | 0.01 | 0.01 | 354.61 | |||
○Loop 184 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 357.41 | |||
○Loop 181 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 366.66 | |||
►Loop 186 - OneBodyJastrowRef.h:186-194 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 187 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 179 - stl_numeric.h:126-127 - exec [...] | 0 | 0.02 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 182 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 183 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 180 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 178 - OneBodyJastrowRef.h:0-0 - exec [...] | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 188 - OneBodyJastrowRef.h:186-187 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_dgemm_dcopy_down24_ea | libmkl_avx512.so.2 | 0.04 | 0.1 | 0.05 | 112 | 0.01 | 0.02 | Math (%): 100.00 | 2.48 | |
○__kmp_api_omp_get_level | libiomp5.so | 0.03 | 0.07 | 0.03 | 112 | 0.01 | 0.01 | OMP (%): 100.00 | 7.40 | |
○__kmp_get_global_thread_id_reg | libiomp5.so | 0.02 | 0.05 | 0.03 | 112 | 0.01 | 0.01 | OMP (%): 100.00 | 12.67 | |
○_dl_update_slotinfo | ld-2.28.so | 0.02 | 0.05 | 0.02 | 111 | 0.01 | 0.01 | System (%): 56.21 OMP (%): 43.79 | 14.83 | |
►miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double, ... | exec | 0.02 | 0.03 | 0.02 | 112 | 0.00 | 0.01 | Exe (%): 100.00 | 174.46 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 205 - OneBodyJastrowRef.h:171-172 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 204 - stl_numeric.h:126-127 - exec | 0 | 0.01 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 206 - OneBodyJastrowRef.h:171-172 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 210 - OneBodyJastrowRef.h:109-194 - exec [...] | 0 | 0 | 0 | 34 | 0.00 | 0.00 | 0.00 | |||
►Loop 217 - OneBodyJastrowRef.h:186-194 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 218 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 215 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0.02 | 0 | 111 | 0.00 | 0.00 | 0.00 | |||
○Loop 211 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 213 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 214 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 221 - OneBodyJastrowRef.h:0-0 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 216 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0.02 | 0 | 111 | 0.00 | 0.00 | 0.00 | |||
○Loop 219 - OneBodyJastrowRef.h:186-187 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 212 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0.02 | 0 | 111 | 0.00 | 0.00 | 0.00 | |||
○Loop 222 - stl_numeric.h:126-127 - exec [...] | 0 | 0.01 | 0 | 93 | 0.00 | 0.00 | 0.00 | |||
○Loop 220 - OneBodyJastrowRef.h:186-187 - exec | 0 | 0.01 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 202 - OneBodyJastrowRef.h:171-172 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 207 - OneBodyJastrowRef.h:169-169 - exec [...] | 0 | 0.01 | 0 | 16 | 0.00 | 0.00 | 0.00 | |||
►Loop 209 - OneBodyJastrowRef.h:169-169 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 208 - TinyVectorOps.h:49-49 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 203 - OneBodyJastrowRef.h:0-0 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○__tls_get_addr | ld-2.28.so | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | System (%): 91.85 OMP (%): 8.15 | 16.68 | |
►qmcplusplus::TimerType<std::chrono::_V2::system_clock>::stop() | exec | 0.02 | 0.06 | 0.02 | 112 | 0.01 | 0.01 | Exe (%): 100.00 | 18.48 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 1439 - NewTimer.cpp:99-100 - exec | 0 | 0.01 | 0 | 18 | 0.00 | 0.00 | 0.00 | |||
○Loop 1440 - NewTimer.cpp:99-100 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::TimerType<std::chrono::_V2::system_clock>::start() | exec | 0.02 | 0.05 | 0.02 | 111 | 0.01 | 0.01 | Exe (%): 100.00 | 0.78 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 1437 - NewTimer.cpp:53-54 - exec | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
○Loop 1438 - NewTimer.cpp:53-54 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::Vector<double, std::allocator<double> >::resize(unsigned long, double) | exec | 0.02 | 0.04 | 0.02 | 110 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 230 - stl_algobase.h:752-754 - exec | 0.02 | 0.04 | 0.02 | 110 | 0.01 | 0.01 | 0.00 | |||
○Loop 229 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 228 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 227 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1 | libmkl_avx512.so.2 | 0.02 | 0.06 | 0.03 | 112 | 0.01 | 0.01 | Math (%): 100.00 | 1888.32 | |
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::resize(int, int) | exec | 0.02 | 0.04 | 0.02 | 112 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 876 - stl_algobase.h:740-742 - exec | 0.02 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | 0.00 | |||
○Loop 871 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 875 - stl_algobase.h:741-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 870 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 872 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 874 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 873 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 869 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○__dynamic_cast | libstdc++.so.6.0.25 | 0.02 | 0.06 | 0.02 | 111 | 0.01 | 0.01 | Others (%): 100.00 | 3.23 | |
○kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check() | libiomp5.so | 0.02 | 0.05 | 0.02 | 111 | 0.01 | 0.01 | OMP (%): 100.00 | 0.00 | |
○__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 | 0.01 | 0.05 | 0.01 | 111 | 0.01 | 0.01 | Others (%): 100.00 | 7.10 | |
►qmcplusplus::ParticleSet::acceptMove(int) | exec | 0.01 | 0.02 | 0.01 | 84 | 0.00 | 0.01 | Exe (%): 100.00 | 0.10 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 1089 - ParticleSet.cpp:389-390 - exec [...] | 0 | 0 | 0 | 13 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 0.01 | 0.04 | 0.01 | 111 | 0.01 | 0.01 | Exe (%): 100.00 | 51.50 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
►Loop 300 - TwoBodyJastrowRef.h:107-132 - exec [...] | 0.01 | 0.03 | 0.01 | 92 | 0.00 | 0.01 | 13.75 | |||
○Loop 301 - TwoBodyJastrowRef.h:127-132 - exec [...] | 0 | 0.01 | 0 | 99 | 0.00 | 0.00 | 0.00 | |||
○_intel_fast_memset | exec | 0.01 | 0.02 | 0.01 | 106 | 0.00 | 0.00 | Memory (%): 100.00 | 11.70 | |
○mkl_blas_avx512_xdgemv | libmkl_avx512.so.2 | 0.01 | 0.04 | 0.01 | 104 | 0.01 | 0.01 | Math (%): 100.00 | 18.00 | |
►qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.03 | 0.01 | 81 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 74 - WaveFunction.cpp:185-188 - exec [...] | 0 | 0.03 | 0 | 70 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 0.01 | 0.04 | 0.01 | 104 | 0.01 | 0.01 | Exe (%): 100.00 | 1.20 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
►Loop 80 - WaveFunction.cpp:263-274 - exec [...] | 0 | 0.02 | 0 | 67 | 0.00 | 0.00 | 0.00 | |||
○Loop 81 - WaveFunction.cpp:273-274 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 83 - WaveFunction.cpp:273-274 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 82 - WaveFunction.cpp:273-274 - exec | 0 | 0.01 | 0 | 25 | 0.00 | 0.00 | 0.00 | |||
○qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector<double, 3u> const&, int, bool) | exec | 0.01 | 0.04 | 0.01 | 110 | 0.01 | 0.01 | Exe (%): 100.00 | 24.80 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○__kmp_get_ancestor_thread_num | libiomp5.so | 0.01 | 0.03 | 0.01 | 78 | 0.00 | 0.00 | OMP (%): 100.00 | 0.00 | |
○update_get_addr | ld-2.28.so | 0.01 | 0.04 | 0.01 | 104 | 0.01 | 0.01 | OMP (%): 100.00 System (%): 0.00 | 12.70 | |
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.03 | 0.01 | 106 | 0.01 | 0.01 | Exe (%): 100.00 | 34.20 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 860 - DelayedUpdate.h:137-138 - exec | 0 | 0 | 0 | 9 | 0.00 | 0.00 | 0.00 | |||
○Loop 859 - DelayedUpdate.h:147-148 - exec | 0 | 0.01 | 0 | 17 | 0.00 | 0.00 | 0.00 | |||
○Loop 858 - DelayedUpdate.h:147-148 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 861 - DelayedUpdate.h:137-138 - exec | 0 | 0.01 | 0 | 30 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | exec | 0.01 | 0.03 | 0.01 | 74 | 0.00 | 0.01 | Exe (%): 100.00 | 0.05 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 75 - WaveFunction.cpp:198-201 - exec [...] | 0 | 0.02 | 0 | 57 | 0.00 | 0.00 | 0.00 | |||
○miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.04 | 0.01 | 99 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○__libm_logl_ex | exec | 0.01 | 0.02 | 0.01 | 112 | 0.00 | 0.00 | Exe (%): 100.00 | 65.10 | |
►main.extracted.110 | exec | 0.01 | 0.05 | 0.02 | 107 | 0.01 | 0.01 | Exe (%): 100.00 | 1.03 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/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 | 0 | 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 [...] | 0.01 | 0.05 | 0.02 | 106 | 0.01 | 0.01 | 0.03 | |||
○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 | 39 | 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 | |||
○qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::update(int) | exec | 0.01 | 0.04 | 0.01 | 106 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○mkl_blas_xdgemv | libmkl_core.so.2 | 0.01 | 0.03 | 0.01 | 83 | 0.00 | 0.00 | Math (%): 100.00 | 2.40 | |
○qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector<double, 3u> const&, bool) | exec | 0.01 | 0.04 | 0.01 | 102 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
►miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::computeU3(qmcplusplus::ParticleSet&, int, double const*) | exec | 0.01 | 0.04 | 0.01 | 107 | 0.01 | 0.01 | Exe (%): 100.00 | 2.15 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 244 - OneBodyJastrowRef.h:214-219 - exec [...] | 0.01 | 0.03 | 0.01 | 98 | 0.01 | 0.01 | 1.50 | |||
○Loop 243 - OneBodyJastrowRef.h:231-237 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 0.01 | 0.03 | 0.01 | 96 | 0.00 | 0.01 | Exe (%): 100.00 | 1.20 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
►Loop 223 - OneBodyJastrowRef.h:134-155 - exec [...] | 0.01 | 0.03 | 0.01 | 84 | 0.00 | 0.00 | 0.15 | |||
○Loop 225 - OneBodyJastrowRef.h:143-146 - exec [...] | 0 | 0.01 | 0 | 29 | 0.00 | 0.00 | 0.00 | |||
○Loop 224 - BsplineFunctor.h:166-181 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_xdger | libmkl_avx512.so.2 | 0.01 | 0.04 | 0.01 | 108 | 0.01 | 0.01 | Math (%): 100.00 | 161.10 | |
○__libm_exp_z0 | exec | 0.01 | 0.04 | 0.01 | 112 | 0.01 | 0.01 | Math (%): 100.00 | 74.20 | |
►qmcplusplus::ParticleSet::update(bool) | exec | 0.01 | 0.04 | 0.01 | 101 | 0.01 | 0.01 | Exe (%): 100.00 | 0.40 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/b... |
○Loop 1076 - ParticleSet.cpp:242-243 - exec [...] | 0.01 | 0.03 | 0.01 | 88 | 0.01 | 0.01 | 0.00 |