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 | 28.47 | 23.75 | 22.94 | 112 | 0.76 | 0.66 | Exe (%): 100.00 | 266.11 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
►Loop 870 - MultiBsplineRef.hpp:42-71 - exec [...] | 0.02 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | 15.25 | |||
►Loop 871 - MultiBsplineRef.hpp:63-71 - exec | 0.01 | 0.02 | 0 | 112 | 0.01 | 0.00 | 0.00 | |||
►Loop 872 - MultiBsplineRef.hpp:64-71 - exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 686.42 | |||
○Loop 873 - MultiBsplineRef.hpp:68-70 - exec | 28.41 | 23.69 | 22.88 | 112 | 0.76 | 0.66 | 266.32 | |||
○Loop 869 - einspline_spo_ref.hpp:183-187 - exec [...] | 0 | 0.03 | 0 | 41 | 0.01 | 0.00 | 0.00 | |||
○mkl_blas_avx512_dgemm_kernel_0 | libmkl_avx512.so.2 | 13.53 | 11.02 | 10.89 | 112 | 0.20 | 0.17 | Math (%): 100.00 | 1814.25 | |
►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 | 12.67 | 11.23 | 10.21 | 112 | 0.39 | 0.32 | Exe (%): 100.00 | 835.62 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
►Loop 876 - MultiBsplineRef.hpp:187-286 - exec [...] | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 40.53 | |||
○Loop 877 - MultiBsplineRef.hpp:276-286 - exec | 0.44 | 0.46 | 0.36 | 112 | 0.06 | 0.04 | 304.46 | |||
►Loop 878 - MultiBsplineRef.hpp:226-262 - exec [...] | 0 | 0.02 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
►Loop 879 - MultiBsplineRef.hpp:227-262 - exec [...] | 0.02 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 864.23 | |||
○Loop 880 - MultiBsplineRef.hpp:242-262 - exec [...] | 11.2 | 9.9 | 9.02 | 112 | 0.35 | 0.29 | 932.52 | |||
►Loop 874 - einspline_spo_ref.hpp:219-227 - exec [...] | 0 | 0.01 | 0 | 7 | 0.00 | 0.00 | 0.00 | |||
○Loop 875 - einspline_spo_ref.hpp:223-227 - exec [...] | 0.96 | 0.92 | 0.77 | 112 | 0.09 | 0.07 | 0.00 | |||
○mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1 | libmkl_avx512.so.2 | 12.66 | 10.29 | 10.2 | 112 | 0.17 | 0.16 | Math (%): 100.00 | 1807.09 | |
►qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::evaluate(qmcplusplus::ParticleSet&) | exec | 9.4 | 7.84 | 7.57 | 112 | 0.22 | 0.21 | Exe (%): 100.00 | 384.79 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 2096 - stl_construct.h:98-107 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2094 - SoaDistanceTableABOMPTarget.h:194-196 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2093 - SoaDistanceTableABOMPTarget.h:195-196 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2092 - SoaDistanceTableABOMPTarget.h:194-196 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2088 - SoaDistanceTableABOMPTarget.h:214-228 - exec [...] | 0 | 0.01 | 0 | 104 | 0.00 | 0.00 | 0.00 | |||
►Loop 2089 - SoaDistanceTableABOMPTarget.h:215-228 - exec [...] | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 81.95 | |||
○Loop 2090 - SoaDistanceTableABOMPTarget.h:228-228 - exec [...] | 9.38 | 7.81 | 7.55 | 112 | 0.22 | 0.21 | 385.68 | |||
○Loop 2091 - SoaDistanceTableABOMPTarget.h:194-196 - exec | 0 | 0.01 | 0 | 33 | 0.00 | 0.00 | 0.00 | |||
○Loop 2095 - VectorSoAContainer.h:151-176 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::SoaDistanceTableAAOMPTarget<double, 3u, 40>::update(int) | exec | 5.37 | 4.66 | 4.32 | 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) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 1864 - SoaDistanceTableAAOMPTarget.h:440-442 - exec [...] | 5.36 | 4.66 | 4.32 | 112 | 0.24 | 0.17 | 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 | 2.02 | 1.91 | 1.62 | 112 | 0.14 | 0.11 | Exe (%): 100.00 | 1327.40 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 1370 - ParticleBConds3DSoa.h:235-256 - exec | 2 | 1.9 | 1.61 | 112 | 0.14 | 0.11 | 1335.46 | |||
○Loop 1369 - ParticleBConds3DSoa.h:235-256 - exec | 0 | 0.01 | 0 | 62 | 0.00 | 0.00 | 0.00 | |||
○Loop 1368 - ParticleBConds3DSoa.h:235-255 - exec | 0 | 0.01 | 0 | 13 | 0.00 | 0.00 | 0.00 | |||
○kmp_flag_64<false, true>::wait(kmp_info*, int, void*) | libiomp5.so | 1.9 | 2.85 | 1.53 | 112 | 0.54 | 0.43 | OMP (%): 100.00 | 0.00 | |
►__intel_avx_rep_memset | exec | 1.67 | 1.54 | 1.35 | 112 | 0.11 | 0.09 | Memory (%): 100.00 | 0.23 | |
○Loop 2345 - - exec | 0.95 | 0.9 | 0.77 | 112 | 0.08 | 0.06 | 0.34 | |||
○mkl_blas_avx512_dgemv_t_intrinsics | libmkl_avx512.so.2 | 1.6 | 1.41 | 1.29 | 112 | 0.10 | 0.08 | Math (%): 100.00 | 365.68 | |
►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 1.39 | 1.38 | 1.12 | 112 | 0.11 | 0.09 | Exe (%): 100.00 | 60.22 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
►Loop 389 - TwoBodyJastrowRef.h:107-132 - exec [...] | 0.01 | 0.03 | 0.01 | 107 | 0.01 | 0.01 | 36.70 | |||
►Loop 390 - BsplineFunctor.h:229-260 - exec [...] | 0.03 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 364.41 | |||
○Loop 393 - BsplineFunctor.h:236-241 - exec [...] | 1.25 | 1.24 | 1 | 112 | 0.10 | 0.08 | 0.68 | |||
○Loop 391 - BsplineFunctor.h:246-260 - exec | 0.11 | 0.15 | 0.09 | 112 | 0.03 | 0.02 | 656.89 | |||
○Loop 392 - BsplineFunctor.h:236-241 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_dgemv_n_intrinsics | libmkl_avx512.so.2 | 1.09 | 1.02 | 0.88 | 112 | 0.08 | 0.06 | Math (%): 100.00 | 372.91 | |
►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 0.93 | 0.9 | 0.75 | 112 | 0.08 | 0.06 | Exe (%): 100.00 | 378.24 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 363 - TwoBodyJastrowRef.h:324-331 - exec | 0.25 | 0.29 | 0.2 | 112 | 0.05 | 0.04 | 470.14 | |||
○Loop 359 - TwoBodyJastrowRef.h:342-347 - exec | 0.22 | 0.25 | 0.17 | 112 | 0.04 | 0.03 | 373.69 | |||
○Loop 357 - TwoBodyJastrowRef.h:342-347 - exec | 0.22 | 0.24 | 0.18 | 112 | 0.04 | 0.03 | 347.07 | |||
○Loop 361 - TwoBodyJastrowRef.h:342-347 - exec | 0.22 | 0.25 | 0.17 | 112 | 0.04 | 0.03 | 365.81 | |||
○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 | 0.02 | 0 | 85 | 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 | 0.84 | 0.81 | 0.68 | 112 | 0.08 | 0.06 | Math (%): 100.00 | 2176.96 | |
○unknown_function | Unknown module | 0.71 | 0.71 | 0.57 | 113 | 0.32 | 0.07 | Others (%): 100.00 | 0.04 | |
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<... | exec | 0.68 | 0.61 | 0.55 | 112 | 0.03 | 0.02 | Exe (%): 100.00 | 153.99 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
►Loop 992 - inner_product.hpp:82-155 - exec [...] | 0 | 0.01 | 0 | 91 | 0.00 | 0.00 | 0.00 | |||
○Loop 994 - inner_product.hpp:155-155 - exec [...] | 0.48 | 0.44 | 0.38 | 112 | 0.03 | 0.03 | 167.21 | |||
○Loop 996 - inner_product.hpp:82-83 - exec | 0.2 | 0.24 | 0.16 | 112 | 0.03 | 0.03 | 131.46 | |||
○Loop 993 - inner_product.hpp:155-155 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 995 - 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 | 0.66 | 0.73 | 0.53 | 112 | 0.07 | 0.05 | Exe (%): 100.00 | 111.77 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 332 - BsplineFunctor.h:291-297 - exec | 0.52 | 0.56 | 0.42 | 112 | 0.06 | 0.05 | 0.56 | |||
○Loop 330 - BsplineFunctor.h:303-338 - exec | 0.08 | 0.14 | 0.07 | 112 | 0.02 | 0.02 | 798.51 | |||
○Loop 331 - BsplineFunctor.h:291-298 - exec | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | exec | 0.63 | 0.62 | 0.51 | 112 | 0.07 | 0.05 | Exe (%): 100.00 | 291.18 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 352 - TwoBodyJastrowRef.h:155-156 - exec | 0.18 | 0.2 | 0.14 | 112 | 0.03 | 0.03 | 305.08 | |||
○Loop 351 - TwoBodyJastrowRef.h:155-156 - exec | 0.17 | 0.21 | 0.14 | 112 | 0.03 | 0.03 | 306.07 | |||
○Loop 350 - TwoBodyJastrowRef.h:155-156 - exec | 0.17 | 0.19 | 0.14 | 112 | 0.03 | 0.02 | 295.19 | |||
○Loop 354 - stl_numeric.h:126-127 - exec [...] | 0.09 | 0.11 | 0.07 | 112 | 0.02 | 0.02 | 293.64 | |||
○Loop 355 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0.02 | 0 | 88 | 0.01 | 0.00 | 0.00 | |||
○Loop 347 - TwoBodyJastrowRef.h:155-156 - exec | 0 | 0 | 0 | 0 | 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 | 34 | 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 | 0.48 | 0.54 | 0.39 | 112 | 0.06 | 0.05 | Exe (%): 100.00 | 163.99 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 981 - inner_product.hpp:155-155 - exec [...] | 0.47 | 0.54 | 0.38 | 112 | 0.06 | 0.05 | 168.01 | |||
○Loop 980 - 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 | 0.45 | 0.48 | 0.36 | 112 | 0.06 | 0.04 | Exe (%): 100.00 | 234.08 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 982 - inner_product.hpp:155-155 - exec [...] | 0.34 | 0.34 | 0.27 | 112 | 0.05 | 0.04 | 233.46 | |||
○Loop 985 - inner_product.hpp:82-83 - exec | 0.1 | 0.12 | 0.08 | 112 | 0.02 | 0.02 | 262.76 | |||
○Loop 983 - inner_product.hpp:155-155 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 984 - DiracDeterminantRef.cpp:0-0 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<double, std::allocator<double> > const&, std::vector<double, st... | exec | 0.36 | 0.39 | 0.29 | 112 | 0.05 | 0.04 | Exe (%): 100.00 | 292.79 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
►Loop 881 - inner_product.hpp:82-83 - exec [...] | 0.01 | 0.02 | 0 | 101 | 0.01 | 0.00 | 0.00 | |||
○Loop 883 - inner_product.hpp:82-83 - exec | 0.35 | 0.39 | 0.28 | 112 | 0.05 | 0.04 | 301.82 | |||
○Loop 882 - inner_product.hpp:82-83 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○unknown_kernel_region | kernel | 0.35 | 0.49 | 0.28 | 113 | 0.73 | 0.12 | System (%): 83.94 Math (%): 15.84 OMP (%): 0.21 MPI (%): 0.02 | 1.39 | |
►qmcplusplus::DiracMatrix<double, double>::invert_transpose(qmcplusplus::Matrix<double, std::allocator<double> > const&, qmcplusplus::Matrix<double, std::allocator<double> >&, double&, double&) | exec | 0.28 | 0.25 | 0.22 | 112 | 0.02 | 0.01 | Exe (%): 100.00 | 0.01 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 954 - DiracMatrix.h:112-113 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 953 - DiracMatrix.h:112-113 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 951 - DiracMatrix.h:31-35 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 957 - inner_product.hpp:211-212 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 952 - DiracMatrix.h:31-35 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 956 - inner_product.hpp:211-212 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 960 - inner_product.hpp:210-212 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 962 - inner_product.hpp:211-212 - exec | 0.15 | 0.17 | 0.12 | 112 | 0.02 | 0.02 | 0.00 | |||
○Loop 961 - inner_product.hpp:211-212 - exec | 0.13 | 0.16 | 0.11 | 112 | 0.03 | 0.02 | 0.00 | |||
○Loop 959 - inner_product.hpp:211-212 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 958 - inner_product.hpp:211-212 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 955 - Mallocator.hpp:69-69 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►__intel_avx_rep_memcpy | exec | 0.22 | 0.27 | 0.17 | 112 | 0.04 | 0.03 | Memory (%): 100.00 | 0.14 | |
○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 | |||
►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double, ... | exec | 0.16 | 0.18 | 0.13 | 112 | 0.02 | 0.02 | Exe (%): 100.00 | 327.48 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 367 - TwoBodyJastrowRef.h:423-427 - exec [...] | 0 | 0.01 | 0 | 15 | 0.00 | 0.00 | 0.00 | |||
►Loop 368 - TwoBodyJastrowRef.h:268-420 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 370 - stl_algobase.h:752-754 - exec [...] | 0 | 0.01 | 0 | 82 | 0.00 | 0.00 | 0.00 | |||
○Loop 383 - TwoBodyJastrowRef.h:381-382 - exec | 0.03 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 213.81 | |||
○Loop 379 - TwoBodyJastrowRef.h:381-382 - exec | 0.03 | 0.06 | 0.02 | 112 | 0.01 | 0.01 | 213.93 | |||
○Loop 381 - TwoBodyJastrowRef.h:381-382 - exec | 0.03 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 209.48 | |||
○Loop 377 - TwoBodyJastrowRef.h:388-391 - exec | 0.02 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 818.57 | |||
○Loop 385 - TwoBodyJastrowRef.h:375-376 - exec | 0.02 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | 321.16 | |||
○Loop 375 - TwoBodyJastrowRef.h:397-398 - exec | 0.01 | 0.04 | 0.01 | 112 | 0.01 | 0.01 | 421.21 | |||
○Loop 374 - TwoBodyJastrowRef.h:397-398 - exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 424.61 | |||
○Loop 373 - TwoBodyJastrowRef.h:397-398 - exec | 0.01 | 0.02 | 0.01 | 112 | 0.01 | 0.01 | 425.21 | |||
○Loop 378 - TwoBodyJastrowRef.h:381-382 - exec | 0 | 0 | 0 | 8 | 0.00 | 0.00 | 0.00 | |||
○Loop 380 - TwoBodyJastrowRef.h:381-382 - exec | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
○Loop 387 - stl_numeric.h:126-127 - exec [...] | 0 | 0.01 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 369 - TwoBodyJastrowRef.h:397-398 - exec | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 386 - stl_numeric.h:126-127 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 376 - TwoBodyJastrowRef.h:388-391 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 382 - TwoBodyJastrowRef.h:381-382 - exec | 0 | 0.01 | 0 | 7 | 0.00 | 0.00 | 0.00 | |||
○Loop 371 - TwoBodyJastrowRef.h:397-398 - exec | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 384 - TwoBodyJastrowRef.h:375-376 - exec | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○Loop 372 - TwoBodyJastrowRef.h:397-398 - exec | 0 | 0 | 0 | 7 | 0.00 | 0.00 | 0.00 | |||
○Loop 388 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0.01 | 0 | 23 | 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 | 0.13 | 0.17 | 0.11 | 112 | 0.03 | 0.02 | Math (%): 100.00 | 1853.59 | |
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector&l... | exec | 0.11 | 0.13 | 0.09 | 112 | 0.02 | 0.01 | Exe (%): 100.00 | 188.51 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
►Loop 975 - inner_product.hpp:82-155 - exec [...] | 0 | 0 | 0 | 7 | 0.00 | 0.00 | 0.00 | |||
○Loop 979 - inner_product.hpp:155-155 - exec [...] | 0.09 | 0.11 | 0.07 | 112 | 0.02 | 0.01 | 181.22 | |||
○Loop 977 - inner_product.hpp:82-83 - exec | 0.02 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | 213.51 | |||
○Loop 976 - inner_product.hpp:82-83 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 978 - inner_product.hpp:155-155 - 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 | 0.08 | 0.14 | 0.06 | 112 | 0.02 | 0.02 | Exe (%): 100.00 | 285.75 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 268 - OneBodyJastrowRef.h:186-187 - exec | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 245.71 | |||
○Loop 265 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 333.76 | |||
○Loop 263 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.02 | 0.01 | 112 | 0.01 | 0.01 | 342.91 | |||
○Loop 264 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 331.86 | |||
○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 | 0.02 | 0 | 112 | 0.01 | 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 | 0 | 0 | 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 | 0.08 | 0.1 | 0.06 | 112 | 0.02 | 0.02 | Exe (%): 100.00 | 1.05 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
►Loop 75 - NonLocalPP.hpp:122-135 - exec [...] | 0.01 | 0.02 | 0.01 | 65 | 0.01 | 0.00 | 0.00 | |||
►Loop 76 - NonLocalPP.hpp:126-135 - exec [...] | 0.06 | 0.09 | 0.05 | 112 | 0.02 | 0.01 | 0.58 | |||
○Loop 77 - NonLocalPP.hpp:131-132 - exec [...] | 0.01 | 0.02 | 0.01 | 90 | 0.01 | 0.00 | 3.40 | |||
○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 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 | 0.05 | 112 | 0.02 | 0.02 | Math (%): 100.00 | 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 | 14.15 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
►Loop 303 - OneBodyJastrowRef.h:134-155 - exec [...] | 0 | 0.02 | 0 | 66 | 0.00 | 0.00 | 0.00 | |||
►Loop 305 - BsplineFunctor.h:229-260 - exec [...] | 0.01 | 0.02 | 0 | 105 | 0.01 | 0.00 | 0.00 | |||
○Loop 308 - BsplineFunctor.h:236-241 - exec [...] | 0.03 | 0.06 | 0.03 | 112 | 0.01 | 0.01 | 2.43 | |||
○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 | 0.01 | 0 | 6 | 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 | 0.07 | 0.04 | 112 | 0.02 | 0.01 | Math (%): 100.00 | 2287.07 | |
○__kmp_api_omp_get_level | libiomp5.so | 0.04 | 0.06 | 0.03 | 112 | 0.01 | 0.01 | OMP (%): 100.00 | 6.42 | |
○mkl_blas_avx512_dgemm_dcopy_down24_ea | libmkl_avx512.so.2 | 0.04 | 0.06 | 0.03 | 112 | 0.02 | 0.01 | Math (%): 100.00 | 6.00 | |
○__libm_exp_z0 | exec | 0.03 | 0.06 | 0.03 | 112 | 0.02 | 0.02 | Math (%): 100.00 | 35.63 | |
○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 | 2787.89 | |
○__kmp_get_global_thread_id_reg | libiomp5.so | 0.03 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | OMP (%): 100.00 | 12.95 | |
○__dynamic_cast | libstdc++.so.6.0.25 | 0.03 | 0.06 | 0.03 | 111 | 0.02 | 0.01 | Others (%): 100.00 | 1.43 | |
►qmcplusplus::TimerType<std::chrono::_V2::system_clock>::stop() | exec | 0.03 | 0.08 | 0.02 | 111 | 0.02 | 0.01 | Exe (%): 100.00 | 13.25 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 1558 - NewTimer.cpp:86-100 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1557 - NewTimer.cpp:99-100 - exec | 0 | 0.01 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::TimerType<std::chrono::_V2::system_clock>::start() | exec | 0.03 | 0.07 | 0.03 | 111 | 0.02 | 0.01 | Exe (%): 100.00 | 0.73 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 1555 - NewTimer.cpp:53-54 - exec | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 1556 - NewTimer.cpp:39-54 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►main.extracted.110 | exec | 0.02 | 0.04 | 0.01 | 112 | 0.01 | 0.01 | Exe (%): 100.00 | 54.50 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 23 - basic_string.h:180-224 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 24 - 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 | 0.01 | 0 | 7 | 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 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 36 - miniqmc.cpp:429-458 - exec [...] | 0.01 | 0.04 | 0.01 | 103 | 0.01 | 0.01 | 0.10 | |||
►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 | 0.01 | 0 | 4 | 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 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 52 - random.tcc:401-406 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►Loop 43 - RandomGenerator.h:51-55 - exec [...] | 0 | 0.01 | 0 | 103 | 0.00 | 0.00 | 0.00 | |||
►Loop 44 - random.tcc:401-3332 - exec [...] | 0 | 0 | 0 | 111 | 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 | 0.01 | 0 | 50 | 0.00 | 0.00 | 0.00 | |||
○Loop 48 - random.tcc:401-406 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 49 - random.tcc:409-414 - exec | 0 | 0 | 0 | 2 | 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 | |||
○__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 | 3.73 | |
►qmcplusplus::Vector<double, std::allocator<double> >::resize(unsigned long, double) | exec | 0.02 | 0.04 | 0.02 | 107 | 0.01 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 313 - stl_algobase.h:752-754 - exec | 0.02 | 0.04 | 0.02 | 107 | 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 | |||
○qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector<double, 3u> const&, int, bool) | exec | 0.02 | 0.04 | 0.02 | 106 | 0.01 | 0.01 | Exe (%): 100.00 | 2.70 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○__tls_get_addr | ld-2.28.so | 0.02 | 0.04 | 0.02 | 111 | 0.01 | 0.01 | System (%): 91.20 OMP (%): 8.80 | 11.78 | |
►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 | 356.56 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○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 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 284 - stl_numeric.h:126-127 - exec | 0 | 0 | 0 | 3 | 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 | 5 | 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 | 0.01 | 0 | 30 | 0.00 | 0.00 | 0.00 | |||
○Loop 297 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.02 | 0 | 111 | 0.01 | 0.00 | 0.00 | |||
○Loop 300 - OneBodyJastrowRef.h:186-187 - exec | 0 | 0.02 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
○Loop 302 - stl_numeric.h:126-127 - exec [...] | 0 | 0.01 | 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 | 0.02 | 0 | 108 | 0.00 | 0.00 | 0.00 | |||
○Loop 295 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0.02 | 0 | 109 | 0.00 | 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 | |||
○kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check() | libiomp5.so | 0.02 | 0.05 | 0.02 | 109 | 0.01 | 0.01 | OMP (%): 100.00 | 0.00 | |
►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) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 1004 - stl_algobase.h:740-742 - exec | 0.02 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | 0.00 | |||
○Loop 999 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1002 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 998 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1001 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1000 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 997 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1003 - stl_algobase.h:741-742 - 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 | 104 | 0.01 | 0.01 | Math (%): 100.00 | 10.10 | |
○_dl_update_slotinfo | ld-2.28.so | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | System (%): 57.94 OMP (%): 42.06 | 11.43 | |
►qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 0.01 | 0.03 | 0.01 | 96 | 0.01 | 0.01 | Exe (%): 100.00 | 0.70 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
►Loop 108 - WaveFunction.cpp:263-274 - exec [...] | 0 | 0.02 | 0 | 51 | 0.00 | 0.00 | 0.00 | |||
○Loop 109 - WaveFunction.cpp:273-274 - exec | 0 | 0 | 0 | 5 | 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 | 0.01 | 0 | 18 | 0.00 | 0.00 | 0.00 | |||
○miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.03 | 0.01 | 84 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○mkl_blas_xdgemv | libmkl_core.so.2 | 0.01 | 0.02 | 0 | 64 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
►qmcplusplus::ParticleSet::acceptMove(int) | exec | 0.01 | 0.03 | 0.01 | 79 | 0.01 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 1238 - ParticleSet.cpp:389-390 - exec [...] | 0 | 0.02 | 0 | 23 | 0.00 | 0.00 | 0.00 | |||
○update_get_addr | ld-2.28.so | 0.01 | 0.03 | 0.01 | 103 | 0.01 | 0.01 | OMP (%): 100.00 System (%): 0.00 | 9.20 | |
►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.02 | 0.01 | 95 | 0.01 | 0.01 | Exe (%): 100.00 | 24.25 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 986 - DelayedUpdate.h:147-148 - exec | 0 | 0.01 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
○Loop 989 - DelayedUpdate.h:137-138 - exec | 0 | 0.02 | 0 | 13 | 0.01 | 0.00 | 0.00 | |||
○Loop 987 - DelayedUpdate.h:147-148 - exec | 0 | 0.01 | 0 | 11 | 0.00 | 0.00 | 0.00 | |||
○Loop 988 - DelayedUpdate.h:137-138 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() const | exec | 0.01 | 0.03 | 0.01 | 69 | 0.01 | 0.01 | Exe (%): 100.00 | 0.25 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::update(int) | exec | 0.01 | 0.03 | 0.01 | 84 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○__kmp_api_omp_in_parallel | libiomp5.so | 0.01 | 0.03 | 0.01 | 75 | 0.01 | 0.00 | OMP (%): 100.00 | 0.00 | |
○_intel_fast_memset | exec | 0.01 | 0.02 | 0.01 | 101 | 0.01 | 0.01 | Memory (%): 100.00 | 8.20 | |
○qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector<double, 3u> const&, bool) | exec | 0.01 | 0.03 | 0.01 | 97 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
►qmcplusplus::ParticleSet::update(bool) | exec | 0.01 | 0.03 | 0.01 | 99 | 0.01 | 0.01 | Exe (%): 100.00 | 1.45 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 1225 - ParticleSet.cpp:242-243 - exec [...] | 0.01 | 0.02 | 0.01 | 80 | 0.01 | 0.00 | 0.00 | |||
○miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.02 | 0.01 | 67 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○__kmp_get_ancestor_thread_num | libiomp5.so | 0.01 | 0.03 | 0.01 | 70 | 0.01 | 0.00 | OMP (%): 100.00 | 0.00 | |
○qmcplusplus::SoaDistanceTableAAOMPTarget<double, 3u, 40>::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector<double, 3u> const&, int, bool) | exec | 0.01 | 0.02 | 0.01 | 66 | 0.01 | 0.00 | Exe (%): 100.00 | 1.20 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○MPL_gpu_cuda_finalize | libmpi.so.12.0.0 | 0.01 | 0.6 | 0.01 | 1 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
►qmcplusplus::Vector<double, qmcplusplus::OMPallocator<double, qmcplusplus::Mallocator<double, 64ul> > >::resize(unsigned long, double) | exec | 0.01 | 0.02 | 0 | 63 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 1058 - stl_algobase.h:752-754 - exec | 0 | 0.02 | 0 | 46 | 0.00 | 0.00 | 0.00 | |||
○Loop 1055 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1056 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1057 - stl_algobase.h:752-754 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.03 | 0.01 | 74 | 0.01 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 101 - WaveFunction.cpp:185-188 - exec [...] | 0 | 0.02 | 0 | 54 | 0.01 | 0.00 | 0.00 | |||
►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 | 2.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 329 - OneBodyJastrowRef.h:214-219 - exec [...] | 0.01 | 0.03 | 0.01 | 99 | 0.01 | 0.01 | 0.60 | |||
○Loop 328 - 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 | 159.35 | |
►qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | exec | 0.01 | 0.03 | 0.01 | 88 | 0.01 | 0.00 | Exe (%): 100.00 | 0.20 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
○Loop 102 - WaveFunction.cpp:198-201 - exec [...] | 0.01 | 0.02 | 0 | 71 | 0.00 | 0.00 | 0.00 |