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 | 24.18 | 28.7 | 27.29 | 112 | 1.01 | 1.22 | Exe (%): 100.00 | 223.54 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
►Loop 843 - MultiBsplineRef.hpp:42-71 - exec [...] | 0.01 | 0.03 | 0.01 | 111 | 0.01 | 0.01 | 27.20 | |||
►Loop 844 - MultiBsplineRef.hpp:63-71 - exec | 0 | 0.01 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
►Loop 845 - MultiBsplineRef.hpp:64-71 - exec | 0 | 0.03 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 846 - MultiBsplineRef.hpp:68-70 - exec | 24.14 | 28.67 | 27.25 | 112 | 1.01 | 1.22 | 223.58 | |||
○Loop 842 - einspline_spo_ref.hpp:183-187 - exec [...] | 0 | 0.04 | 0 | 33 | 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 | 17.67 | 21.71 | 19.94 | 112 | 0.46 | 0.52 | Exe (%): 100.00 | 433.06 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
►Loop 849 - MultiBsplineRef.hpp:187-286 - exec [...] | 0.02 | 0.06 | 0.02 | 112 | 0.01 | 0.01 | 23.70 | |||
○Loop 851 - MultiBsplineRef.hpp:276-286 - exec | 0.33 | 0.5 | 0.37 | 112 | 0.04 | 0.05 | 309.60 | |||
►Loop 852 - MultiBsplineRef.hpp:226-262 - exec [...] | 0.01 | 0.04 | 0.01 | 101 | 0.01 | 0.01 | 4.85 | |||
►Loop 853 - MultiBsplineRef.hpp:227-262 - exec [...] | 0.03 | 0.07 | 0.04 | 112 | 0.01 | 0.02 | 20.46 | |||
►Loop 858 - MultiBsplineRef.hpp:242-262 - exec [...] | 0.95 | 3.32 | 1.07 | 112 | 0.23 | 0.25 | 293.55 | |||
○Loop 860 - MultiBsplineRef.hpp:242-262 - exec [...] | 10.43 | 13.72 | 11.77 | 112 | 0.91 | 1.02 | 469.32 | |||
○Loop 859 - MultiBsplineRef.hpp:242-261 - exec [...] | 5.06 | 9.35 | 5.71 | 112 | 0.94 | 1.05 | 469.58 | |||
○Loop 857 - 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 855 - MultiBsplineRef.hpp:242-262 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 854 - MultiBsplineRef.hpp:242-262 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 850 - MultiBsplineRef.hpp:276-286 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 847 - einspline_spo_ref.hpp:219-227 - exec [...] | 0 | 0 | 0 | 9 | 0.00 | 0.00 | 0.00 | |||
○Loop 848 - einspline_spo_ref.hpp:223-227 - exec [...] | 0.83 | 1.18 | 0.93 | 112 | 0.08 | 0.09 | 0.00 | |||
○mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1 | libmkl_avx512.so.2 | 14.2 | 16.52 | 16.03 | 112 | 0.33 | 0.33 | Math (%): 100.00 | 1691.23 | |
○mkl_blas_avx512_dgemm_kernel_0 | libmkl_avx512.so.2 | 12.94 | 15.2 | 14.6 | 112 | 0.31 | 0.33 | Math (%): 100.00 | 1822.44 | |
►qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::evaluate(qmcplusplus::ParticleSet&) | exec | 7.56 | 9.31 | 8.54 | 112 | 0.36 | 0.42 | Exe (%): 100.00 | 348.68 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 2086 - SoaDistanceTableABOMPTarget.h:194-196 - exec | 0 | 0.01 | 0 | 22 | 0.00 | 0.00 | 0.00 | |||
○Loop 2090 - VectorSoAContainer.h:151-176 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►Loop 2089 - SoaDistanceTableABOMPTarget.h:194-196 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2088 - SoaDistanceTableABOMPTarget.h:195-196 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2084 - SoaDistanceTableABOMPTarget.h:214-228 - exec [...] | 0 | 0.02 | 0 | 105 | 0.00 | 0.00 | 0.00 | |||
►Loop 2085 - SoaDistanceTableABOMPTarget.h:215-228 - exec [...] | 0 | 0.01 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 2083 - SoaDistanceTableABOMPTarget.h:228-228 - exec [...] | 7.55 | 9.3 | 8.52 | 112 | 0.36 | 0.42 | 349.44 | |||
○Loop 2087 - SoaDistanceTableABOMPTarget.h:194-196 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2091 - stl_construct.h:98-107 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::SoaDistanceTableAAOMPTarget<double, 3u, 40>::update(int) | exec | 6.53 | 8.39 | 7.37 | 112 | 0.30 | 0.32 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 1858 - SoaDistanceTableAAOMPTarget.h:440-442 - exec [...] | 6.53 | 8.39 | 7.37 | 112 | 0.30 | 0.32 | 0.00 | |||
►__intel_avx_rep_memset | exec | 1.96 | 2.58 | 2.21 | 112 | 0.11 | 0.12 | Memory (%): 100.00 | 0.20 | |
○Loop 2345 - - exec | 1.08 | 1.51 | 1.22 | 112 | 0.07 | 0.08 | 0.27 | |||
►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 | 1.84 | 2.76 | 2.08 | 112 | 0.15 | 0.17 | Exe (%): 100.00 | 1035.46 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 1352 - ParticleBConds3DSoa.h:235-256 - exec | 1.83 | 2.74 | 2.07 | 112 | 0.15 | 0.17 | 1039.99 | |||
○Loop 1351 - ParticleBConds3DSoa.h:235-255 - exec | 0 | 0.01 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 1.6 | 2.19 | 1.8 | 112 | 0.13 | 0.15 | Exe (%): 100.00 | 36.71 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
►Loop 372 - TwoBodyJastrowRef.h:107-132 - exec [...] | 0.01 | 0.03 | 0.01 | 103 | 0.01 | 0.01 | 12.60 | |||
►Loop 373 - BsplineFunctor.h:236-260 - exec [...] | 0.01 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | 67.65 | |||
○Loop 377 - BsplineFunctor.h:236-241 - exec | 1.47 | 2.02 | 1.66 | 112 | 0.13 | 0.15 | 0.28 | |||
○Loop 375 - BsplineFunctor.h:246-260 - exec [...] | 0.1 | 0.18 | 0.11 | 112 | 0.03 | 0.03 | 559.07 | |||
○Loop 374 - BsplineFunctor.h:246-260 - exec | 0 | 0.02 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 376 - BsplineFunctor.h:236-241 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○kmp_flag_64<false, true>::wait(kmp_info*, int, void*) | libiomp5.so | 1.34 | 3.62 | 1.51 | 112 | 0.46 | 0.52 | OMP (%): 100.00 | 0.00 | |
○mkl_blas_avx512_dgemv_t_intrinsics | libmkl_avx512.so.2 | 1.34 | 1.72 | 1.52 | 112 | 0.09 | 0.10 | Math (%): 100.00 | 318.76 | |
►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 1.12 | 1.46 | 1.26 | 112 | 0.08 | 0.09 | Exe (%): 100.00 | 226.94 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 350 - TwoBodyJastrowRef.h:324-331 - exec | 0.32 | 0.45 | 0.36 | 112 | 0.04 | 0.04 | 263.64 | |||
○Loop 347 - TwoBodyJastrowRef.h:342-347 - exec | 0.26 | 0.43 | 0.29 | 112 | 0.04 | 0.04 | 218.17 | |||
○Loop 345 - TwoBodyJastrowRef.h:342-347 - exec | 0.26 | 0.44 | 0.3 | 112 | 0.04 | 0.04 | 211.51 | |||
○Loop 343 - TwoBodyJastrowRef.h:342-347 - exec | 0.26 | 0.42 | 0.29 | 112 | 0.04 | 0.04 | 218.46 | |||
○Loop 351 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 348 - TwoBodyJastrowRef.h:324-331 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 346 - TwoBodyJastrowRef.h:342-347 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 344 - TwoBodyJastrowRef.h:342-347 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 342 - TwoBodyJastrowRef.h:342-347 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 349 - TwoBodyJastrowRef.h:324-331 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 352 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0.01 | 0 | 91 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0 | libmkl_avx512.so.2 | 0.93 | 1.17 | 1.05 | 112 | 0.05 | 0.06 | Math (%): 100.00 | 1755.70 | |
○mkl_blas_avx512_dgemv_n_intrinsics | libmkl_avx512.so.2 | 0.86 | 1.12 | 0.97 | 112 | 0.06 | 0.07 | Math (%): 100.00 | 349.01 | |
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<... | exec | 0.78 | 1.12 | 0.89 | 112 | 0.12 | 0.13 | Exe (%): 100.00 | 94.89 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
►Loop 970 - inner_product.hpp:82-155 - exec [...] | 0 | 0.01 | 0 | 85 | 0.00 | 0.00 | 0.00 | |||
○Loop 972 - inner_product.hpp:155-155 - exec [...] | 0.54 | 0.8 | 0.61 | 112 | 0.08 | 0.09 | 103.70 | |||
○Loop 974 - inner_product.hpp:82-83 - exec | 0.24 | 0.45 | 0.28 | 112 | 0.05 | 0.05 | 75.24 | |||
○Loop 973 - inner_product.hpp:82-83 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 971 - inner_product.hpp:155-155 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○unknown_function | Unknown module | 0.74 | 1 | 0.83 | 114 | 3.76 | 0.12 | Others (%): 100.00 | 0.08 | |
►qmcplusplus::BsplineFunctor<double>::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | exec | 0.65 | 0.87 | 0.74 | 112 | 0.05 | 0.05 | Exe (%): 100.00 | 79.30 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 317 - BsplineFunctor.h:291-298 - exec | 0.55 | 0.73 | 0.63 | 112 | 0.05 | 0.05 | 0.04 | |||
○Loop 315 - BsplineFunctor.h:303-338 - exec [...] | 0.06 | 0.11 | 0.07 | 112 | 0.02 | 0.02 | 804.70 | |||
○Loop 314 - BsplineFunctor.h:303-338 - exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 169.16 | |||
○Loop 316 - 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 | 0.51 | 0.73 | 0.58 | 112 | 0.05 | 0.06 | Exe (%): 100.00 | 110.87 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 959 - inner_product.hpp:155-155 - exec [...] | 0.51 | 0.72 | 0.58 | 112 | 0.05 | 0.06 | 110.63 | |||
○Loop 958 - 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 | 0.49 | 0.66 | 0.55 | 112 | 0.05 | 0.05 | Exe (%): 100.00 | 270.33 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 338 - TwoBodyJastrowRef.h:155-156 - exec | 0.14 | 0.22 | 0.15 | 112 | 0.03 | 0.03 | 281.13 | |||
○Loop 337 - TwoBodyJastrowRef.h:155-156 - exec | 0.13 | 0.2 | 0.15 | 112 | 0.02 | 0.02 | 284.43 | |||
○Loop 336 - TwoBodyJastrowRef.h:155-156 - exec | 0.13 | 0.19 | 0.15 | 112 | 0.02 | 0.03 | 280.89 | |||
○Loop 340 - stl_numeric.h:126-127 - exec [...] | 0.06 | 0.13 | 0.07 | 112 | 0.02 | 0.02 | 301.16 | |||
○Loop 335 - TwoBodyJastrowRef.h:155-156 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 339 - TwoBodyJastrowRef.h:0-0 - exec [...] | 0 | 0 | 0 | 10 | 0.00 | 0.00 | 0.00 | |||
○Loop 341 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0.01 | 0 | 102 | 0.00 | 0.00 | 0.00 | |||
○Loop 334 - TwoBodyJastrowRef.h:155-156 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 333 - TwoBodyJastrowRef.h:155-156 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | exec | 0.34 | 0.5 | 0.38 | 112 | 0.04 | 0.04 | Exe (%): 100.00 | 221.34 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 960 - inner_product.hpp:155-155 - exec [...] | 0.24 | 0.37 | 0.28 | 112 | 0.03 | 0.04 | 226.42 | |||
○Loop 963 - inner_product.hpp:82-83 - exec | 0.09 | 0.19 | 0.1 | 112 | 0.02 | 0.03 | 205.49 | |||
○Loop 962 - DiracDeterminantRef.cpp:0-0 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 961 - 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 | 0.31 | 0.48 | 0.35 | 112 | 0.04 | 0.05 | Exe (%): 100.00 | 243.30 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
►Loop 861 - inner_product.hpp:82-83 - exec [...] | 0 | 0.02 | 0.01 | 106 | 0.00 | 0.01 | 33.30 | |||
○Loop 863 - inner_product.hpp:82-83 - exec | 0.31 | 0.48 | 0.35 | 112 | 0.04 | 0.05 | 242.32 | |||
○Loop 862 - inner_product.hpp:82-83 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►__intel_avx_rep_memcpy | exec | 0.26 | 0.38 | 0.3 | 112 | 0.03 | 0.04 | Memory (%): 100.00 | 0.06 | |
○Loop 2343 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2344 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_lapack_xdlaswp | libmkl_core.so.2 | 0.2 | 0.3 | 0.22 | 112 | 0.03 | 0.04 | Math (%): 100.00 | 0.00 | |
○unknown_kernel_region | kernel | 0.17 | 0.29 | 0.19 | 113 | 0.87 | 0.03 | System (%): 90.54 Math (%): 8.74 OMP (%): 0.70 MPI (%): 0.02 | 3.21 | |
○mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0 | libmkl_avx512.so.2 | 0.15 | 0.24 | 0.17 | 112 | 0.02 | 0.03 | Math (%): 100.00 | 1763.13 | |
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector&l... | exec | 0.14 | 0.27 | 0.16 | 112 | 0.04 | 0.05 | Exe (%): 100.00 | 106.01 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
►Loop 953 - inner_product.hpp:82-155 - exec [...] | 0 | 0 | 0 | 8 | 0.00 | 0.00 | 0.00 | |||
○Loop 957 - inner_product.hpp:155-155 - exec [...] | 0.11 | 0.22 | 0.13 | 112 | 0.04 | 0.04 | 98.18 | |||
○Loop 955 - inner_product.hpp:82-83 - exec | 0.03 | 0.09 | 0.03 | 112 | 0.01 | 0.02 | 139.52 | |||
○Loop 956 - inner_product.hpp:155-155 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 954 - inner_product.hpp:82-83 - 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 | 0.14 | 0.31 | 0.16 | 112 | 0.06 | 0.07 | Exe (%): 100.00 | 0.01 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 932 - DiracMatrix.h:31-35 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 931 - DiracMatrix.h:31-35 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 933 - DiracMatrix.h:112-113 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 937 - inner_product.hpp:210-212 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 938 - inner_product.hpp:210-212 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►Loop 939 - inner_product.hpp:210-212 - exec | 0 | 0.01 | 0 | 8 | 0.00 | 0.00 | 0.00 | |||
○Loop 940 - inner_product.hpp:211-212 - exec | 0.14 | 0.31 | 0.16 | 112 | 0.06 | 0.07 | 0.00 | |||
○Loop 936 - inner_product.hpp:211-212 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 935 - 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 | 3 | 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 | 0.11 | 0.19 | 0.13 | 112 | 0.03 | 0.03 | Exe (%): 100.00 | 326.99 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 354 - TwoBodyJastrowRef.h:423-427 - exec [...] | 0 | 0 | 0 | 26 | 0.00 | 0.00 | 0.00 | |||
►Loop 355 - TwoBodyJastrowRef.h:268-420 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 356 - TwoBodyJastrowRef.h:268-420 - exec [...] | 0 | 0.01 | 0 | 85 | 0.00 | 0.00 | 0.00 | |||
○Loop 358 - TwoBodyJastrowRef.h:393-398 - exec | 0.03 | 0.06 | 0.03 | 112 | 0.01 | 0.01 | 424.28 | |||
○Loop 364 - TwoBodyJastrowRef.h:381-382 - exec | 0.02 | 0.06 | 0.02 | 112 | 0.01 | 0.01 | 213.41 | |||
○Loop 362 - TwoBodyJastrowRef.h:381-382 - exec | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 205.21 | |||
○Loop 366 - TwoBodyJastrowRef.h:381-382 - exec | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 214.23 | |||
○Loop 360 - TwoBodyJastrowRef.h:388-391 - exec | 0.01 | 0.04 | 0.01 | 112 | 0.01 | 0.01 | 825.82 | |||
○Loop 368 - TwoBodyJastrowRef.h:375-376 - exec | 0.01 | 0.05 | 0.01 | 112 | 0.01 | 0.01 | 643.57 | |||
○Loop 361 - TwoBodyJastrowRef.h:381-382 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 365 - TwoBodyJastrowRef.h:381-382 - exec | 0 | 0 | 0 | 7 | 0.00 | 0.00 | 0.00 | |||
○Loop 359 - TwoBodyJastrowRef.h:388-391 - exec | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
○Loop 357 - TwoBodyJastrowRef.h:388-391 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 363 - TwoBodyJastrowRef.h:381-382 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 369 - stl_numeric.h:126-127 - exec [...] | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 367 - TwoBodyJastrowRef.h:375-376 - exec | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 370 - stl_numeric.h:126-127 - exec [...] | 0 | 0.03 | 0 | 112 | 0.00 | 0.01 | 0.00 | |||
○Loop 371 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0 | 0 | 27 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_dgemm_dcopy_right8_ea | libmkl_avx512.so.2 | 0.1 | 0.2 | 0.11 | 112 | 0.02 | 0.02 | Math (%): 100.00 | 0.00 | |
►qmcplusplus::NonLocalPP<double>::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&) | exec | 0.07 | 0.13 | 0.08 | 112 | 0.02 | 0.02 | Exe (%): 100.00 | 1.46 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 83 - NonLocalPP.hpp:110-111 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 86 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 80 - NonLocalPP.hpp:122-135 - exec [...] | 0 | 0.02 | 0 | 64 | 0.00 | 0.00 | 0.00 | |||
►Loop 81 - NonLocalPP.hpp:126-135 - exec [...] | 0.06 | 0.12 | 0.07 | 112 | 0.02 | 0.02 | 0.82 | |||
○Loop 82 - NonLocalPP.hpp:131-132 - exec [...] | 0.01 | 0.03 | 0.01 | 105 | 0.01 | 0.01 | 5.95 | |||
○Loop 79 - OhmmsVector.h:48-210 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 84 - stl_uninitialized.h:526-526 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 85 - stl_uninitialized.h:526-526 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 87 - stl_algobase.h:740-742 - 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 | 0.06 | 0.13 | 0.07 | 112 | 0.02 | 0.02 | Exe (%): 100.00 | 252.98 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 252 - OneBodyJastrowRef.h:186-187 - exec | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 258.01 | |||
○Loop 248 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 345.66 | |||
○Loop 249 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 344.96 | |||
○Loop 247 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.02 | 0.01 | 112 | 0.01 | 0.01 | 340.61 | |||
○Loop 241 - OneBodyJastrowRef.h:0-0 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 246 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 244 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 245 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 251 - OneBodyJastrowRef.h:188-194 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 250 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 243 - OneBodyJastrowRef.h:186-187 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 242 - stl_numeric.h:126-127 - exec [...] | 0 | 0.01 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_dtrsm_kernel_ll_0 | libmkl_avx512.so.2 | 0.06 | 0.12 | 0.07 | 112 | 0.01 | 0.02 | Math (%): 100.00 | 1368.33 | |
►miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 0.06 | 0.12 | 0.07 | 112 | 0.02 | 0.02 | Exe (%): 100.00 | 2.31 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
►Loop 286 - OneBodyJastrowRef.h:134-155 - exec [...] | 0.01 | 0.03 | 0.01 | 95 | 0.01 | 0.01 | 0.10 | |||
○Loop 287 - BsplineFunctor.h:166-181 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 288 - OneBodyJastrowRef.h:134-146 - exec [...] | 0 | 0.03 | 0 | 68 | 0.00 | 0.00 | 0.00 | |||
○Loop 292 - BsplineFunctor.h:236-241 - exec | 0.05 | 0.09 | 0.05 | 112 | 0.01 | 0.02 | 1.09 | |||
○Loop 290 - BsplineFunctor.h:246-260 - exec [...] | 0 | 0 | 0 | 8 | 0.00 | 0.00 | 0.00 | |||
○Loop 291 - BsplineFunctor.h:236-241 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 289 - BsplineFunctor.h:246-260 - exec | 0 | 0.01 | 0 | 50 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_dgemm_dcopy_down24_ea | libmkl_avx512.so.2 | 0.04 | 0.08 | 0.04 | 112 | 0.01 | 0.01 | Math (%): 100.00 | 8.50 | |
○__kmp_get_global_thread_id_reg | libiomp5.so | 0.03 | 0.07 | 0.03 | 112 | 0.01 | 0.01 | OMP (%): 100.00 | 12.68 | |
○mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1 | libmkl_avx512.so.2 | 0.03 | 0.07 | 0.03 | 112 | 0.01 | 0.01 | Math (%): 100.00 | 2187.80 | |
○__kmp_api_omp_get_level | libiomp5.so | 0.03 | 0.06 | 0.03 | 112 | 0.01 | 0.01 | OMP (%): 100.00 | 6.00 | |
►qmcplusplus::TimerType<std::chrono::_V2::system_clock>::start() | exec | 0.02 | 0.05 | 0.03 | 111 | 0.01 | 0.01 | Exe (%): 100.00 | 0.63 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 1549 - NewTimer.cpp:53-54 - exec | 0 | 0.01 | 0 | 18 | 0.00 | 0.00 | 0.00 | |||
○Loop 1550 - NewTimer.cpp:53-54 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::TimerType<std::chrono::_V2::system_clock>::stop() | exec | 0.02 | 0.06 | 0.02 | 112 | 0.01 | 0.01 | Exe (%): 100.00 | 14.78 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/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 | 0.01 | 0 | 23 | 0.00 | 0.00 | 0.00 | |||
○__tls_get_addr | ld-2.28.so | 0.02 | 0.06 | 0.02 | 112 | 0.01 | 0.01 | System (%): 92.62 OMP (%): 7.38 | 13.40 | |
►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 | 175.73 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 266 - OneBodyJastrowRef.h:0-0 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 265 - OneBodyJastrowRef.h:171-172 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 273 - OneBodyJastrowRef.h:109-194 - exec [...] | 0 | 0 | 0 | 31 | 0.00 | 0.00 | 0.00 | |||
○Loop 280 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.02 | 0.01 | 112 | 0.00 | 0.00 | 71.00 | |||
○Loop 278 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0.02 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 284 - OneBodyJastrowRef.h:0-0 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 279 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0.01 | 0 | 109 | 0.00 | 0.00 | 0.00 | |||
○Loop 283 - OneBodyJastrowRef.h:186-187 - exec | 0 | 0.01 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 277 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 282 - OneBodyJastrowRef.h:188-194 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 281 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 285 - stl_numeric.h:126-127 - exec [...] | 0 | 0 | 0 | 88 | 0.00 | 0.00 | 0.00 | |||
○Loop 276 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 275 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 274 - OneBodyJastrowRef.h:186-187 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 272 - OneBodyJastrowRef.h:169-169 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 271 - TinyVectorOps.h:49-49 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 267 - stl_numeric.h:126-127 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 268 - OneBodyJastrowRef.h:171-172 - exec | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 269 - OneBodyJastrowRef.h:171-172 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 270 - OneBodyJastrowRef.h:169-169 - exec [...] | 0 | 0.01 | 0 | 15 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::resize(int, int) | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 982 - stl_algobase.h:740-742 - exec | 0.02 | 0.04 | 0.02 | 110 | 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 975 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 981 - stl_algobase.h:741-742 - 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 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 | |||
○_dl_update_slotinfo | ld-2.28.so | 0.02 | 0.05 | 0.03 | 112 | 0.01 | 0.01 | System (%): 61.07 OMP (%): 38.93 | 8.60 | |
○__dynamic_cast | libstdc++.so.6.0.25 | 0.02 | 0.05 | 0.02 | 111 | 0.01 | 0.01 | Others (%): 100.00 | 2.83 | |
○kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check() | libiomp5.so | 0.02 | 0.05 | 0.02 | 106 | 0.01 | 0.01 | OMP (%): 100.00 | 0.00 | |
►qmcplusplus::ParticleSet::update(bool) | exec | 0.01 | 0.04 | 0.01 | 102 | 0.01 | 0.01 | Exe (%): 100.00 | 1.60 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 1213 - ParticleSet.cpp:242-243 - exec [...] | 0.01 | 0.03 | 0.01 | 98 | 0.01 | 0.01 | 0.00 | |||
►qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.02 | 0.01 | 88 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 106 - WaveFunction.cpp:185-188 - exec [...] | 0 | 0.02 | 0.01 | 70 | 0.00 | 0.00 | 0.00 | |||
○qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::update(int) | exec | 0.01 | 0.04 | 0.01 | 103 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
►main.extracted.110 | exec | 0.01 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | Exe (%): 100.00 | 30.00 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
►Loop 23 - stl_vector.h:296-933 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 63 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 33 - random.tcc:401-3332 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 36 - random.tcc:409-414 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 34 - random.tcc:401-406 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 35 - random.tcc:401-406 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 62 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 64 - stl_algobase.h:740-742 - exec | 0 | 0.01 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►Loop 29 - random.tcc:401-3332 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 32 - random.tcc:409-414 - 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:401-406 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 61 - stl_algobase.h:741-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 37 - random.tcc:401-3338 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 38 - miniqmc.cpp:429-458 - exec [...] | 0.01 | 0.04 | 0.01 | 108 | 0.01 | 0.01 | 0.10 | |||
►Loop 47 - RandomGenerator.h:51-55 - exec [...] | 0 | 0 | 0 | 108 | 0.00 | 0.00 | 0.00 | |||
►Loop 48 - random.tcc:401-3332 - exec [...] | 0 | 0 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 50 - random.tcc:401-406 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 51 - random.tcc:409-414 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 49 - random.tcc:401-406 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 52 - random.tcc:401-3332 - exec [...] | 0 | 0 | 0 | 15 | 0.00 | 0.00 | 0.00 | |||
○Loop 54 - random.tcc:401-406 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 55 - random.tcc:409-414 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 53 - random.tcc:401-406 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►Loop 56 - StdRandom.h:102-103 - exec [...] | 0 | 0 | 0 | 11 | 0.00 | 0.00 | 0.00 | |||
►Loop 57 - random.tcc:401-3332 - exec [...] | 0 | 0 | 0 | 20 | 0.00 | 0.00 | 0.00 | |||
○Loop 58 - random.tcc:401-406 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 60 - random.tcc:409-414 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 59 - random.tcc:401-406 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 43 - random.tcc:401-3332 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 44 - random.tcc:401-406 - exec | 0 | 0 | 0 | 0 | 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 39 - random.tcc:401-3332 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 40 - random.tcc:401-406 - 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 24 - NonLocalPP.hpp:110-111 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 25 - 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 26 - random.tcc:401-406 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.02 | 0.01 | 104 | 0.01 | 0.01 | Exe (%): 100.00 | 32.45 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 964 - DelayedUpdate.h:147-148 - exec | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○Loop 965 - DelayedUpdate.h:147-148 - exec | 0 | 0 | 0 | 13 | 0.00 | 0.00 | 0.00 | |||
○Loop 966 - DelayedUpdate.h:137-138 - exec | 0 | 0 | 0 | 10 | 0.00 | 0.00 | 0.00 | |||
○Loop 967 - DelayedUpdate.h:137-138 - exec | 0 | 0.01 | 0 | 39 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::computeU3(qmcplusplus::ParticleSet&, int, double const*) | exec | 0.01 | 0.03 | 0.01 | 103 | 0.01 | 0.01 | Exe (%): 100.00 | 1.25 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 313 - OneBodyJastrowRef.h:214-219 - exec [...] | 0.01 | 0.03 | 0.01 | 95 | 0.01 | 0.01 | 0.70 | |||
○Loop 312 - 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 | 0.04 | 0.01 | 111 | 0.01 | 0.01 | Math (%): 100.00 | 157.25 | |
○miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.03 | 0.01 | 91 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○__libm_exp_z0 | exec | 0.01 | 0.04 | 0.01 | 112 | 0.01 | 0.01 | Math (%): 100.00 | 81.35 | |
○mkl_blas_avx512_xdgemv | libmkl_avx512.so.2 | 0.01 | 0.03 | 0.01 | 104 | 0.01 | 0.01 | Math (%): 100.00 | 17.40 | |
○mkl_blas_xdgemv | libmkl_core.so.2 | 0.01 | 0.03 | 0.01 | 72 | 0.00 | 0.01 | Math (%): 100.00 | 2.40 | |
►qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 0.01 | 0.04 | 0.01 | 102 | 0.01 | 0.01 | Exe (%): 100.00 | 0.60 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
►Loop 112 - WaveFunction.cpp:263-274 - exec [...] | 0.01 | 0.04 | 0.01 | 65 | 0.01 | 0.01 | 0.10 | |||
○Loop 114 - WaveFunction.cpp:273-274 - exec | 0 | 0.01 | 0 | 33 | 0.00 | 0.00 | 0.00 | |||
○Loop 113 - WaveFunction.cpp:273-274 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 115 - WaveFunction.cpp:273-274 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector<double, 3u> const&, bool) | exec | 0.01 | 0.04 | 0.01 | 105 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
►qmcplusplus::Vector<double, std::allocator<double> >::resize(unsigned long, double) | exec | 0.01 | 0.03 | 0.01 | 108 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 297 - stl_algobase.h:752-754 - exec | 0.01 | 0.03 | 0.01 | 108 | 0.01 | 0.01 | 0.00 | |||
○Loop 294 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 295 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 296 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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 | 0.04 | 0.01 | 109 | 0.01 | 0.01 | Others (%): 100.00 | 3.00 | |
►qmcplusplus::ParticleSet::acceptMove(int) | exec | 0.01 | 0.03 | 0.01 | 79 | 0.00 | 0.00 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |
○Loop 1226 - ParticleSet.cpp:389-390 - exec [...] | 0 | 0 | 0 | 12 | 0.00 | 0.00 | 0.00 | |||
○update_get_addr | ld-2.28.so | 0.01 | 0.03 | 0.01 | 105 | 0.01 | 0.01 | OMP (%): 100.00 System (%): 0.00 | 12.35 | |
○qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector<double, 3u> const&, int, bool) | exec | 0.01 | 0.03 | 0.01 | 108 | 0.01 | 0.01 | Exe (%): 100.00 | 23.20 | 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/171-417-8059/intel/miniqmc/build/miniqmc/src -I /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/b... |