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 | 28.14 | 23.67 | 22.71 | 112 | 0.69 | 0.65 | Exe (%): 100.00 | 268.78 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
►Loop 846 - MultiBsplineRef.hpp:42-71 - exec [...] | 0.02 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 31.85 | |||
►Loop 847 - MultiBsplineRef.hpp:63-71 - exec | 0.01 | 0.02 | 0 | 112 | 0.01 | 0.01 | 0.00 | |||
►Loop 848 - MultiBsplineRef.hpp:64-71 - exec | 0 | 0.02 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 849 - MultiBsplineRef.hpp:68-70 - exec | 28.09 | 23.65 | 22.66 | 112 | 0.69 | 0.65 | 268.94 | |||
○Loop 845 - einspline_spo_ref.hpp:183-187 - exec [...] | 0 | 0.04 | 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 | 17.36 | 15.31 | 14 | 112 | 0.46 | 0.38 | Exe (%): 100.00 | 616.22 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
►Loop 852 - MultiBsplineRef.hpp:187-286 - exec [...] | 0.03 | 0.06 | 0.03 | 112 | 0.02 | 0.01 | 18.93 | |||
○Loop 853 - MultiBsplineRef.hpp:276-286 - exec | 0.37 | 0.41 | 0.3 | 112 | 0.05 | 0.04 | 379.02 | |||
►Loop 854 - MultiBsplineRef.hpp:226-262 - exec [...] | 0.01 | 0.04 | 0.01 | 102 | 0.01 | 0.01 | 4.95 | |||
►Loop 855 - MultiBsplineRef.hpp:227-262 - exec [...] | 0.03 | 0.05 | 0.03 | 112 | 0.01 | 0.01 | 35.25 | |||
►Loop 859 - MultiBsplineRef.hpp:242-262 - exec [...] | 1.24 | 2.74 | 1 | 112 | 0.28 | 0.21 | 344.65 | |||
○Loop 861 - MultiBsplineRef.hpp:242-262 - exec [...] | 8.9 | 9.03 | 7.18 | 112 | 1.09 | 0.86 | 748.83 | |||
○Loop 860 - MultiBsplineRef.hpp:242-261 - exec [...] | 5.96 | 7.7 | 4.81 | 112 | 1.15 | 0.92 | 580.11 | |||
○Loop 857 - MultiBsplineRef.hpp:242-262 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 858 - MultiBsplineRef.hpp:242-261 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 856 - MultiBsplineRef.hpp:242-262 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 850 - einspline_spo_ref.hpp:219-227 - exec [...] | 0 | 0 | 0 | 15 | 0.00 | 0.00 | 0.00 | |||
○Loop 851 - einspline_spo_ref.hpp:223-227 - exec [...] | 0.79 | 0.81 | 0.63 | 112 | 0.09 | 0.07 | 0.00 | |||
○mkl_blas_avx512_dgemm_kernel_0 | libmkl_avx512.so.2 | 11.82 | 9.75 | 9.53 | 112 | 0.18 | 0.14 | Math (%): 100.00 | 1828.94 | |
○mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1 | libmkl_avx512.so.2 | 11.45 | 9.5 | 9.24 | 112 | 0.17 | 0.15 | Math (%): 100.00 | 1819.07 | |
►qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::evaluate(qmcplusplus::ParticleSet&) | exec | 9.27 | 7.87 | 7.48 | 112 | 0.25 | 0.21 | Exe (%): 100.00 | 388.70 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 2086 - SoaDistanceTableABOMPTarget.h:194-196 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2090 - stl_construct.h:98-107 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2085 - SoaDistanceTableABOMPTarget.h:194-196 - exec | 0 | 0.01 | 0 | 37 | 0.00 | 0.00 | 0.00 | |||
►Loop 2088 - SoaDistanceTableABOMPTarget.h:194-196 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2087 - SoaDistanceTableABOMPTarget.h:195-196 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2083 - SoaDistanceTableABOMPTarget.h:214-228 - exec [...] | 0 | 0.01 | 0 | 99 | 0.00 | 0.00 | 0.00 | |||
►Loop 2084 - SoaDistanceTableABOMPTarget.h:215-228 - exec [...] | 0 | 0.01 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 2082 - SoaDistanceTableABOMPTarget.h:228-228 - exec [...] | 9.25 | 7.84 | 7.46 | 112 | 0.25 | 0.21 | 389.68 | |||
○Loop 2089 - VectorSoAContainer.h:151-176 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::SoaDistanceTableAAOMPTarget<double, 3u, 40>::update(int) | exec | 5.27 | 4.55 | 4.25 | 112 | 0.24 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 1852 - SoaDistanceTableAAOMPTarget.h:440-442 - exec [...] | 5.27 | 4.55 | 4.25 | 112 | 0.24 | 0.18 | 0.00 | |||
○kmp_flag_64<false, true>::wait(kmp_info*, int, void*) | libiomp5.so | 1.89 | 3.1 | 1.52 | 112 | 0.62 | 0.50 | 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 | 1.79 | 1.76 | 1.44 | 112 | 0.14 | 0.11 | Exe (%): 100.00 | 1494.35 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 1363 - ParticleBConds3DSoa.h:235-256 - exec | 1.77 | 1.75 | 1.43 | 112 | 0.14 | 0.11 | 1504.50 | |||
○Loop 1361 - ParticleBConds3DSoa.h:235-255 - exec | 0 | 0 | 0 | 20 | 0.00 | 0.00 | 0.00 | |||
○Loop 1362 - ParticleBConds3DSoa.h:235-256 - exec | 0 | 0 | 0 | 66 | 0.00 | 0.00 | 0.00 | |||
►__intel_avx_rep_memset | exec | 1.68 | 1.55 | 1.36 | 112 | 0.10 | 0.08 | Memory (%): 100.00 | 0.29 | |
○Loop 2352 - - exec | 0.94 | 0.9 | 0.76 | 112 | 0.08 | 0.06 | 0.39 | |||
►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 1.47 | 1.36 | 1.19 | 112 | 0.12 | 0.10 | Exe (%): 100.00 | 56.14 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
►Loop 384 - TwoBodyJastrowRef.h:107-132 - exec [...] | 0.01 | 0.03 | 0.01 | 98 | 0.01 | 0.01 | 18.55 | |||
►Loop 385 - BsplineFunctor.h:229-260 - exec [...] | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 349.69 | |||
○Loop 388 - TwoBodyJastrowRef.h:107-107 - exec [...] | 1.34 | 1.26 | 1.08 | 112 | 0.11 | 0.09 | 0.78 | |||
○Loop 386 - BsplineFunctor.h:246-260 - exec | 0.1 | 0.13 | 0.08 | 112 | 0.03 | 0.02 | 734.67 | |||
○Loop 387 - 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 | 1.4 | 1.28 | 1.13 | 112 | 0.09 | 0.08 | Math (%): 100.00 | 412.85 | |
○mkl_blas_avx512_dgemv_n_intrinsics | libmkl_avx512.so.2 | 0.93 | 0.89 | 0.75 | 112 | 0.08 | 0.06 | Math (%): 100.00 | 434.03 | |
►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 0.88 | 0.87 | 0.71 | 112 | 0.08 | 0.06 | Exe (%): 100.00 | 402.83 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 363 - TwoBodyJastrowRef.h:324-331 - exec | 0.24 | 0.26 | 0.19 | 112 | 0.04 | 0.03 | 499.50 | |||
○Loop 361 - TwoBodyJastrowRef.h:342-347 - exec | 0.21 | 0.25 | 0.17 | 112 | 0.04 | 0.03 | 369.99 | |||
○Loop 359 - TwoBodyJastrowRef.h:342-347 - exec | 0.2 | 0.24 | 0.16 | 112 | 0.04 | 0.03 | 393.38 | |||
○Loop 357 - TwoBodyJastrowRef.h:342-347 - exec | 0.2 | 0.25 | 0.16 | 112 | 0.04 | 0.03 | 399.28 | |||
○Loop 360 - TwoBodyJastrowRef.h:342-347 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 365 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0.01 | 0 | 75 | 0.00 | 0.00 | 0.00 | |||
○Loop 362 - TwoBodyJastrowRef.h:324-331 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 364 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 356 - TwoBodyJastrowRef.h:342-347 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 358 - 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 | 0.78 | 0.76 | 0.63 | 112 | 0.06 | 0.05 | Math (%): 100.00 | 2277.49 | |
○unknown_function | Unknown module | 0.67 | 0.64 | 0.54 | 113 | 1.16 | 0.07 | Others (%): 100.00 | 0.05 | |
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<... | exec | 0.66 | 0.58 | 0.53 | 112 | 0.03 | 0.03 | Exe (%): 100.00 | 159.88 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
►Loop 971 - inner_product.hpp:82-155 - exec [...] | 0 | 0.01 | 0 | 94 | 0.00 | 0.00 | 0.00 | |||
○Loop 973 - inner_product.hpp:155-155 - exec [...] | 0.45 | 0.42 | 0.36 | 112 | 0.04 | 0.03 | 176.51 | |||
○Loop 975 - inner_product.hpp:82-83 - exec | 0.21 | 0.24 | 0.17 | 112 | 0.04 | 0.03 | 123.68 | |||
○Loop 972 - inner_product.hpp:155-155 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 974 - inner_product.hpp:82-83 - 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 | 0.6 | 0.62 | 0.48 | 112 | 0.06 | 0.05 | Exe (%): 100.00 | 126.55 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 332 - BsplineFunctor.h:291-297 - exec | 0.49 | 0.55 | 0.39 | 112 | 0.05 | 0.04 | 0.37 | |||
○Loop 330 - BsplineFunctor.h:303-338 - exec | 0.06 | 0.11 | 0.05 | 112 | 0.02 | 0.02 | 1147.11 | |||
○Loop 331 - BsplineFunctor.h:291-298 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | exec | 0.53 | 0.54 | 0.43 | 112 | 0.06 | 0.04 | Exe (%): 100.00 | 345.52 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 352 - TwoBodyJastrowRef.h:155-156 - exec | 0.15 | 0.16 | 0.12 | 112 | 0.03 | 0.02 | 350.96 | |||
○Loop 351 - TwoBodyJastrowRef.h:155-156 - exec | 0.14 | 0.2 | 0.11 | 112 | 0.03 | 0.03 | 382.63 | |||
○Loop 350 - TwoBodyJastrowRef.h:155-156 - exec | 0.14 | 0.18 | 0.12 | 112 | 0.03 | 0.02 | 350.16 | |||
○Loop 354 - stl_numeric.h:126-127 - exec [...] | 0.07 | 0.09 | 0.05 | 112 | 0.02 | 0.02 | 426.17 | |||
○Loop 355 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0.01 | 0 | 98 | 0.01 | 0.00 | 0.00 | |||
○Loop 347 - TwoBodyJastrowRef.h:155-156 - exec | 0 | 0 | 0 | 13 | 0.00 | 0.00 | 0.00 | |||
○Loop 348 - TwoBodyJastrowRef.h:155-156 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 353 - TwoBodyJastrowRef.h:0-0 - exec [...] | 0 | 0.01 | 0 | 39 | 0.00 | 0.00 | 0.00 | |||
○Loop 349 - TwoBodyJastrowRef.h:155-156 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.44 | 0.47 | 0.36 | 112 | 0.05 | 0.04 | Exe (%): 100.00 | 177.07 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 960 - inner_product.hpp:155-155 - exec [...] | 0.44 | 0.47 | 0.35 | 112 | 0.05 | 0.04 | 181.82 | |||
○Loop 959 - inner_product.hpp:155-155 - 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 | 0.38 | 0.44 | 0.3 | 112 | 0.05 | 0.04 | Exe (%): 100.00 | 282.95 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 961 - inner_product.hpp:155-155 - exec [...] | 0.28 | 0.34 | 0.23 | 112 | 0.04 | 0.03 | 275.11 | |||
○Loop 964 - inner_product.hpp:82-83 - exec | 0.08 | 0.09 | 0.06 | 112 | 0.02 | 0.02 | 356.14 | |||
○Loop 962 - inner_product.hpp:155-155 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 963 - DiracDeterminantRef.cpp:0-0 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○unknown_kernel_region | kernel | 0.36 | 0.52 | 0.29 | 113 | 0.83 | 0.12 | System (%): 84.43 Math (%): 13.82 OMP (%): 1.75 | 0.93 | |
►qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<double, std::allocator<double> > const&, std::vector<double, st... | exec | 0.35 | 0.36 | 0.29 | 112 | 0.04 | 0.04 | Exe (%): 100.00 | 293.96 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
►Loop 862 - inner_product.hpp:82-83 - exec [...] | 0.01 | 0.02 | 0 | 99 | 0.01 | 0.00 | 0.00 | |||
○Loop 864 - inner_product.hpp:82-83 - exec | 0.35 | 0.35 | 0.28 | 112 | 0.04 | 0.03 | 303.17 | |||
○Loop 863 - inner_product.hpp:82-83 - exec | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
►__intel_avx_rep_memcpy | exec | 0.21 | 0.27 | 0.17 | 112 | 0.04 | 0.03 | Memory (%): 100.00 | 0.09 | |
○Loop 2350 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2351 - - 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 | 0.17 | 0.17 | 0.14 | 112 | 0.03 | 0.02 | Exe (%): 100.00 | 302.89 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 367 - TwoBodyJastrowRef.h:423-427 - exec [...] | 0 | 0.01 | 0 | 17 | 0.00 | 0.00 | 0.00 | |||
►Loop 368 - TwoBodyJastrowRef.h:268-420 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 369 - stl_algobase.h:200-754 - exec [...] | 0 | 0.01 | 0 | 78 | 0.00 | 0.00 | 0.00 | |||
○Loop 370 - TwoBodyJastrowRef.h:393-398 - exec | 0.05 | 0.08 | 0.04 | 112 | 0.02 | 0.02 | 318.48 | |||
○Loop 376 - TwoBodyJastrowRef.h:381-382 - exec | 0.03 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 212.78 | |||
○Loop 378 - TwoBodyJastrowRef.h:381-382 - exec | 0.03 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 205.88 | |||
○Loop 374 - TwoBodyJastrowRef.h:381-382 - exec | 0.03 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 207.46 | |||
○Loop 380 - TwoBodyJastrowRef.h:375-376 - exec | 0.02 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | 319.31 | |||
○Loop 382 - stl_numeric.h:126-127 - exec [...] | 0.01 | 0.02 | 0 | 112 | 0.01 | 0.01 | 0.00 | |||
○Loop 372 - TwoBodyJastrowRef.h:388-391 - exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 839.18 | |||
○Loop 375 - TwoBodyJastrowRef.h:381-382 - exec | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 381 - stl_numeric.h:126-127 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 371 - TwoBodyJastrowRef.h:388-391 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 377 - TwoBodyJastrowRef.h:381-382 - exec | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
○Loop 373 - TwoBodyJastrowRef.h:381-382 - exec | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○Loop 383 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0 | 0 | 24 | 0.00 | 0.00 | 0.00 | |||
○Loop 379 - TwoBodyJastrowRef.h:375-376 - exec | 0 | 0 | 0 | 8 | 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 | 0.14 | 0.09 | 112 | 0.02 | 0.02 | Math (%): 100.00 | 2059.84 | |
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector&l... | exec | 0.1 | 0.1 | 0.08 | 112 | 0.01 | 0.01 | Exe (%): 100.00 | 212.32 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
►Loop 954 - inner_product.hpp:82-155 - exec [...] | 0 | 0 | 0 | 11 | 0.00 | 0.00 | 0.00 | |||
○Loop 958 - inner_product.hpp:155-155 - exec [...] | 0.08 | 0.09 | 0.07 | 112 | 0.01 | 0.01 | 182.01 | |||
○Loop 956 - inner_product.hpp:82-83 - exec | 0.02 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | 211.23 | |||
○Loop 957 - inner_product.hpp:155-155 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 955 - inner_product.hpp:82-83 - 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 | 0.09 | 0.06 | 112 | 0.02 | 0.02 | Exe (%): 100.00 | 291.41 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 268 - OneBodyJastrowRef.h:186-187 - exec | 0.02 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | 256.51 | |||
○Loop 265 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.02 | 0.01 | 112 | 0.01 | 0.01 | 335.46 | |||
○Loop 263 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 343.41 | |||
○Loop 264 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.04 | 0.01 | 112 | 0.01 | 0.01 | 331.61 | |||
○Loop 259 - OneBodyJastrowRef.h:186-187 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 258 - stl_numeric.h:126-127 - exec [...] | 0 | 0.01 | 0 | 111 | 0.00 | 0.00 | 0.00 | |||
○Loop 260 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 261 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 262 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 257 - OneBodyJastrowRef.h:0-0 - exec [...] | 0 | 0.01 | 0 | 80 | 0.00 | 0.00 | 0.00 | |||
►Loop 267 - OneBodyJastrowRef.h:188-194 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 266 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::NonLocalPP<double>::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&) | exec | 0.07 | 0.1 | 0.06 | 112 | 0.02 | 0.02 | Exe (%): 100.00 | 1.08 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 74 - OhmmsVector.h:48-210 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 80 - stl_uninitialized.h:526-526 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 81 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 79 - stl_uninitialized.h:526-526 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 78 - NonLocalPP.hpp:110-111 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 75 - NonLocalPP.hpp:122-135 - exec [...] | 0 | 0.02 | 0 | 51 | 0.00 | 0.00 | 0.00 | |||
►Loop 76 - NonLocalPP.hpp:126-135 - exec [...] | 0.06 | 0.08 | 0.05 | 112 | 0.02 | 0.02 | 0.81 | |||
○Loop 77 - NonLocalPP.hpp:131-132 - exec [...] | 0.01 | 0.03 | 0.01 | 88 | 0.01 | 0.01 | 2.40 | |||
○Loop 82 - stl_algobase.h:740-742 - 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 | 0.06 | 112 | 0.02 | 0.02 | Math (%): 100.00 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
►Loop 938 - inner_product.hpp:210-212 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 939 - inner_product.hpp:210-212 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 940 - inner_product.hpp:210-212 - exec | 0 | 0 | 0 | 7 | 0.00 | 0.00 | 0.00 | |||
○Loop 941 - inner_product.hpp:211-212 - exec | 0.07 | 0.06 | 0.06 | 112 | 0.01 | 0.00 | 0.00 | |||
○Loop 937 - inner_product.hpp:211-212 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 932 - DiracMatrix.h:31-35 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 933 - DiracMatrix.h:31-35 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 936 - Mallocator.hpp:69-69 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 934 - DiracMatrix.h:112-113 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 935 - DiracMatrix.h:112-113 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 0.05 | 0.07 | 0.04 | 112 | 0.02 | 0.01 | Exe (%): 100.00 | 11.88 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
►Loop 303 - OneBodyJastrowRef.h:134-155 - exec [...] | 0.01 | 0.02 | 0 | 75 | 0.01 | 0.00 | 0.00 | |||
►Loop 305 - BsplineFunctor.h:229-260 - exec [...] | 0.01 | 0.02 | 0.01 | 101 | 0.01 | 0.01 | 32.65 | |||
○Loop 308 - OneBodyJastrowRef.h:134-134 - exec [...] | 0.03 | 0.05 | 0.03 | 112 | 0.01 | 0.01 | 2.80 | |||
○Loop 307 - BsplineFunctor.h:236-241 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 306 - BsplineFunctor.h:246-260 - exec | 0 | 0 | 0 | 11 | 0.00 | 0.00 | 0.00 | |||
○Loop 304 - BsplineFunctor.h:166-181 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_dtrsm_kernel_ll_0 | libmkl_avx512.so.2 | 0.05 | 0.08 | 0.04 | 112 | 0.02 | 0.01 | Math (%): 100.00 | 2262.37 | |
○__kmp_api_omp_get_level | libiomp5.so | 0.04 | 0.06 | 0.03 | 112 | 0.02 | 0.01 | OMP (%): 100.00 | 6.98 | |
○__dynamic_cast | libstdc++.so.6.0.25 | 0.04 | 0.07 | 0.03 | 111 | 0.02 | 0.01 | Others (%): 100.00 | 1.43 | |
►qmcplusplus::TimerType<std::chrono::_V2::system_clock>::start() | exec | 0.04 | 0.07 | 0.03 | 110 | 0.02 | 0.01 | Exe (%): 100.00 | 0.82 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 1549 - NewTimer.cpp:53-54 - exec | 0 | 0 | 0 | 8 | 0.00 | 0.00 | 0.00 | |||
○Loop 1550 - NewTimer.cpp:53-54 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○__libm_exp_z0 | exec | 0.03 | 0.06 | 0.02 | 112 | 0.02 | 0.02 | Math (%): 100.00 | 71.58 | |
○kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check() | libiomp5.so | 0.03 | 0.05 | 0.02 | 109 | 0.01 | 0.01 | OMP (%): 100.00 | 0.00 | |
○mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1 | libmkl_avx512.so.2 | 0.03 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | Math (%): 100.00 | 2708.68 | |
○__kmp_get_global_thread_id_reg | libiomp5.so | 0.03 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | OMP (%): 100.00 | 13.55 | |
○mkl_blas_avx512_dgemm_dcopy_down24_ea | libmkl_avx512.so.2 | 0.03 | 0.05 | 0.03 | 112 | 0.01 | 0.01 | Math (%): 100.00 | 6.27 | |
►qmcplusplus::TimerType<std::chrono::_V2::system_clock>::stop() | exec | 0.02 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | Exe (%): 100.00 | 13.85 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 1552 - NewTimer.cpp:99-100 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1551 - NewTimer.cpp:99-100 - exec | 0 | 0 | 0 | 11 | 0.00 | 0.00 | 0.00 | |||
○__tls_get_addr | ld-2.28.so | 0.02 | 0.07 | 0.02 | 112 | 0.01 | 0.01 | System (%): 93.35 OMP (%): 6.65 | 10.03 | |
○__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 | 0.04 | 0.02 | 110 | 0.01 | 0.01 | Others (%): 100.00 | 4.18 | |
►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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 313 - stl_algobase.h:752-754 - exec | 0.02 | 0.04 | 0.02 | 110 | 0.01 | 0.01 | 0.00 | |||
○Loop 311 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 310 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 312 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::resize(int, int) | exec | 0.02 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 983 - stl_algobase.h:740-742 - exec | 0.02 | 0.04 | 0.02 | 111 | 0.01 | 0.01 | 0.00 | |||
○Loop 977 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 978 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 981 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 982 - stl_algobase.h:741-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 976 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 980 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 979 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_xdgemv | libmkl_avx512.so.2 | 0.02 | 0.04 | 0.01 | 103 | 0.01 | 0.01 | Math (%): 100.00 | 10.80 | |
○qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector<double, 3u> const&, int, bool) | exec | 0.02 | 0.05 | 0.02 | 109 | 0.01 | 0.01 | Exe (%): 100.00 | 3.40 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○_dl_update_slotinfo | ld-2.28.so | 0.02 | 0.03 | 0.01 | 111 | 0.01 | 0.01 | System (%): 60.54 OMP (%): 39.46 | 22.60 | |
►main.extracted.110 | exec | 0.02 | 0.04 | 0.01 | 112 | 0.01 | 0.01 | Exe (%): 100.00 | 53.15 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
►Loop 23 - new_allocator.h:101-125 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 26 - random.tcc:401-3332 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 28 - random.tcc:409-414 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 27 - random.tcc:401-406 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 54 - stl_algobase.h:741-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 55 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 57 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
►Loop 29 - random.tcc:401-3332 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 30 - random.tcc:401-406 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 31 - random.tcc:409-414 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 56 - stl_algobase.h:741-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 32 - random.tcc:401-3332 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 34 - random.tcc:409-414 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 33 - random.tcc:401-406 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 35 - StdRandom.h:102-103 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 36 - miniqmc.cpp:429-458 - exec [...] | 0.01 | 0.03 | 0.01 | 96 | 0.01 | 0.01 | 0.00 | |||
►Loop 40 - random.tcc:401-3332 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 42 - random.tcc:409-414 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 41 - random.tcc:401-406 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 50 - StdRandom.h:102-103 - exec [...] | 0 | 0 | 0 | 9 | 0.00 | 0.00 | 0.00 | |||
►Loop 51 - random.tcc:401-3332 - exec [...] | 0 | 0 | 0 | 15 | 0.00 | 0.00 | 0.00 | |||
○Loop 53 - random.tcc:409-414 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 52 - random.tcc:401-406 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 43 - RandomGenerator.h:51-55 - exec [...] | 0 | 0 | 0 | 96 | 0.00 | 0.00 | 0.00 | |||
►Loop 44 - random.tcc:401-3332 - exec [...] | 0 | 0.01 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 45 - random.tcc:401-406 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 46 - random.tcc:409-414 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 47 - random.tcc:401-3332 - exec [...] | 0 | 0 | 0 | 22 | 0.00 | 0.00 | 0.00 | |||
○Loop 48 - random.tcc:401-406 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 49 - random.tcc:409-414 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►Loop 37 - random.tcc:401-3332 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 38 - random.tcc:401-406 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 39 - random.tcc:409-414 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 25 - NonLocalPP.hpp:110-111 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 24 - basic_string.h:180-224 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►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 | 353.71 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 287 - OneBodyJastrowRef.h:169-169 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 281 - OneBodyJastrowRef.h:169-169 - exec [...] | 0 | 0 | 0 | 14 | 0.00 | 0.00 | 0.00 | |||
○Loop 284 - stl_numeric.h:126-127 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►Loop 289 - OneBodyJastrowRef.h:169-169 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 288 - TinyVectorOps.h:49-49 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 285 - OneBodyJastrowRef.h:171-172 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 286 - OneBodyJastrowRef.h:171-172 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 282 - OneBodyJastrowRef.h:171-172 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 283 - OneBodyJastrowRef.h:0-0 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 290 - OneBodyJastrowRef.h:109-194 - exec [...] | 0 | 0 | 0 | 33 | 0.00 | 0.00 | 0.00 | |||
○Loop 297 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.01 | 0 | 110 | 0.01 | 0.00 | 0.00 | |||
○Loop 300 - OneBodyJastrowRef.h:186-187 - exec | 0 | 0.01 | 0 | 111 | 0.00 | 0.00 | 0.00 | |||
○Loop 302 - stl_numeric.h:126-127 - exec [...] | 0 | 0 | 0 | 88 | 0.00 | 0.00 | 0.00 | |||
○Loop 301 - OneBodyJastrowRef.h:0-0 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 296 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0.01 | 0 | 109 | 0.00 | 0.00 | 0.00 | |||
○Loop 295 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0.01 | 0 | 110 | 0.01 | 0.00 | 0.00 | |||
○Loop 293 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 294 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 292 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 299 - OneBodyJastrowRef.h:188-194 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 298 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 291 - OneBodyJastrowRef.h:186-187 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::update(int) | exec | 0.01 | 0.03 | 0.01 | 84 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.02 | 0.01 | 81 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
►qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.03 | 0.01 | 78 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 101 - WaveFunction.cpp:185-188 - exec [...] | 0 | 0.02 | 0 | 53 | 0.00 | 0.00 | 0.00 | |||
○miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.03 | 0.01 | 71 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○__kmp_get_ancestor_thread_num | libiomp5.so | 0.01 | 0.03 | 0.01 | 81 | 0.01 | 0.00 | OMP (%): 100.00 | 0.00 | |
►qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | exec | 0.01 | 0.03 | 0.01 | 84 | 0.01 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 102 - WaveFunction.cpp:198-201 - exec [...] | 0.01 | 0.02 | 0 | 66 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.01 | 0 | 65 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 104 - WaveFunction.cpp:225-228 - exec [...] | 0 | 0.01 | 0 | 47 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.03 | 0.01 | 94 | 0.01 | 0.01 | Exe (%): 100.00 | 18.80 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 965 - DelayedUpdate.h:147-148 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 968 - DelayedUpdate.h:137-138 - exec | 0 | 0.01 | 0 | 19 | 0.00 | 0.00 | 0.00 | |||
○Loop 966 - DelayedUpdate.h:147-148 - exec | 0 | 0 | 0 | 8 | 0.00 | 0.00 | 0.00 | |||
○Loop 967 - DelayedUpdate.h:137-138 - exec | 0 | 0 | 0 | 10 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 0.01 | 0.04 | 0.01 | 99 | 0.01 | 0.01 | Exe (%): 100.00 | 0.50 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
►Loop 108 - WaveFunction.cpp:263-274 - exec [...] | 0.01 | 0.02 | 0.01 | 72 | 0.01 | 0.00 | 0.10 | |||
○Loop 109 - WaveFunction.cpp:273-274 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 111 - WaveFunction.cpp:273-274 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 110 - WaveFunction.cpp:273-274 - exec | 0 | 0 | 0 | 22 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_dgemv | libmkl_intel_thread.so.2 | 0.01 | 0.01 | 0 | 68 | 0.00 | 0.00 | Math (%): 100.00 | 0.00 | |
○qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector<double, 3u> const&, bool) | exec | 0.01 | 0.03 | 0.01 | 94 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
►miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::computeU3(qmcplusplus::ParticleSet&, int, double const*) | exec | 0.01 | 0.03 | 0.01 | 100 | 0.01 | 0.01 | Exe (%): 100.00 | 2.80 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 329 - OneBodyJastrowRef.h:214-219 - exec [...] | 0.01 | 0.03 | 0.01 | 98 | 0.01 | 0.01 | 1.60 | |||
○Loop 328 - OneBodyJastrowRef.h:231-237 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○__kmp_api_omp_in_parallel | libiomp5.so | 0.01 | 0.02 | 0.01 | 70 | 0.01 | 0.00 | OMP (%): 100.00 | 0.00 | |
○update_get_addr | ld-2.28.so | 0.01 | 0.03 | 0.01 | 99 | 0.01 | 0.01 | OMP (%): 100.00 System (%): 0.00 | 8.50 | |
○miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 0.01 | 0.02 | 0 | 62 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() const | exec | 0.01 | 0.03 | 0.01 | 84 | 0.01 | 0.01 | Exe (%): 100.00 | 0.25 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
►qmcplusplus::ParticleSet::update(bool) | exec | 0.01 | 0.02 | 0.01 | 93 | 0.01 | 0.01 | Exe (%): 100.00 | 0.85 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 1217 - ParticleSet.cpp:242-243 - exec [...] | 0.01 | 0.02 | 0.01 | 72 | 0.01 | 0.00 | 0.00 | |||
○mkl_blas_avx512_xdgemm_nocopy_driver | libmkl_avx512.so.2 | 0.01 | 0.02 | 0 | 65 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
○mkl_blas_avx512_xdger | libmkl_avx512.so.2 | 0.01 | 0.03 | 0.01 | 109 | 0.01 | 0.01 | Math (%): 100.00 | 170.26 | |
○unknown_function | exec | 0.01 | 0.02 | 0 | 95 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | |
►qmcplusplus::ParticleSet::acceptMove(int) | exec | 0.01 | 0.02 | 0.01 | 78 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |
○Loop 1230 - ParticleSet.cpp:389-390 - exec [...] | 0 | 0.01 | 0 | 24 | 0.00 | 0.00 | 0.00 | |||
○qmcplusplus::SoaDistanceTableAAOMPTarget<double, 3u, 40>::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector<double, 3u> const&, int, bool) | exec | 0.01 | 0.04 | 0.01 | 94 | 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/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/b... |