| Name | Module | Coverage run_0 (%) | Max Time Over Threads run_0 (s) | Time w.r.t. Wall Time run_0 (s) | Nb Threads run_0 | Deviation (coverage) run_0 | Deviation (walltime) run_0 | Categories run_0 | GFLOPS run_0 | Compilation Options |
|---|---|---|---|---|---|---|---|---|---|---|
| ►miniqmcreference::einspline_spo_ref<double>::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector<double, std::allocator<double> >&) | exec | 23.69 | 28.04 | 26.73 | 112 | 0.95 | 1.17 | Exe (%): 100.00 | 228.22 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ►Loop 870 - MultiBsplineRef.hpp:42-71 - exec [...] | 0.01 | 0.03 | 0.01 | 111 | 0.01 | 0.01 | 25.30 | |||
| ►Loop 871 - MultiBsplineRef.hpp:63-71 - exec | 0 | 0.02 | 0 | 112 | 0.00 | 0.01 | 0.00 | |||
| ►Loop 872 - MultiBsplineRef.hpp:64-71 - exec | 0 | 0.02 | 0 | 112 | 0.00 | 0.01 | 0.00 | |||
| ○Loop 873 - MultiBsplineRef.hpp:68-70 - exec | 23.66 | 27.97 | 26.69 | 112 | 0.95 | 1.17 | 228.14 | |||
| ○Loop 869 - einspline_spo_ref.hpp:183-187 - exec [...] | 0 | 0.03 | 0 | 33 | 0.00 | 0.01 | 0.00 | |||
| ○mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1 | libmkl_avx512.so.2 | 15.36 | 17.77 | 17.32 | 112 | 0.35 | 0.33 | Math (%): 100.00 | 1631.02 | |
| ○mkl_blas_avx512_dgemm_kernel_0 | libmkl_avx512.so.2 | 14.22 | 16.43 | 16.04 | 112 | 0.37 | 0.38 | Math (%): 100.00 | 1814.07 | |
| ►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 | 13.74 | 15.78 | 15.5 | 112 | 0.23 | 0.24 | Exe (%): 100.00 | 555.91 | 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/171-284-5201/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 | 35.00 | |||
| ○Loop 877 - MultiBsplineRef.hpp:276-286 - exec | 0.37 | 0.55 | 0.42 | 112 | 0.05 | 0.05 | 273.62 | |||
| ►Loop 878 - MultiBsplineRef.hpp:226-262 - exec [...] | 0 | 0.01 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 879 - MultiBsplineRef.hpp:227-262 - exec [...] | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 771.42 | |||
| ○Loop 880 - MultiBsplineRef.hpp:242-262 - exec [...] | 12.43 | 14.34 | 14.02 | 112 | 0.20 | 0.21 | 605.70 | |||
| ►Loop 874 - einspline_spo_ref.hpp:219-227 - exec [...] | 0 | 0.01 | 0 | 10 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 875 - einspline_spo_ref.hpp:223-227 - exec [...] | 0.91 | 1.23 | 1.02 | 112 | 0.09 | 0.10 | 0.00 | |||
| ►qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::evaluate(qmcplusplus::ParticleSet&) | exec | 7.78 | 9.29 | 8.78 | 112 | 0.29 | 0.35 | Exe (%): 100.00 | 341.39 | 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/171-284-5201/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 | 102 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2089 - SoaDistanceTableABOMPTarget.h:215-228 - exec [...] | 0.01 | 0.02 | 0.01 | 112 | 0.01 | 0.01 | 94.30 | |||
| ○Loop 2090 - SoaDistanceTableABOMPTarget.h:228-228 - exec [...] | 7.77 | 9.25 | 8.76 | 112 | 0.28 | 0.35 | 342.05 | |||
| ○Loop 2091 - SoaDistanceTableABOMPTarget.h:194-196 - exec | 0 | 0.01 | 0 | 36 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2095 - VectorSoAContainer.h:151-176 - exec [...] | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
| ►qmcplusplus::SoaDistanceTableAAOMPTarget<double, 3u, 40>::update(int) | exec | 6.84 | 8.17 | 7.71 | 112 | 0.30 | 0.31 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○Loop 1864 - SoaDistanceTableAAOMPTarget.h:440-442 - exec [...] | 6.83 | 8.17 | 7.71 | 112 | 0.30 | 0.31 | 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 | 1.97 | 2.54 | 2.22 | 112 | 0.14 | 0.16 | Exe (%): 100.00 | 970.31 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○Loop 1370 - ParticleBConds3DSoa.h:235-256 - exec | 1.96 | 2.53 | 2.21 | 112 | 0.14 | 0.16 | 974.55 | |||
| ○Loop 1369 - ParticleBConds3DSoa.h:235-256 - exec | 0 | 0.01 | 0 | 105 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 1368 - ParticleBConds3DSoa.h:235-255 - exec | 0 | 0.01 | 0 | 21 | 0.00 | 0.00 | 0.00 | |||
| ►__intel_avx_rep_memset | exec | 1.91 | 2.37 | 2.16 | 112 | 0.09 | 0.10 | Memory (%): 100.00 | 0.19 | |
| ○Loop 2345 - - exec | 1.1 | 1.39 | 1.24 | 112 | 0.07 | 0.07 | 0.28 | |||
| ○mkl_blas_avx512_dgemv_t_intrinsics | libmkl_avx512.so.2 | 1.49 | 1.9 | 1.69 | 112 | 0.09 | 0.09 | Math (%): 100.00 | 291.10 | |
| ►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 1.4 | 2.06 | 1.58 | 112 | 0.14 | 0.16 | Exe (%): 100.00 | 42.83 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ►Loop 389 - TwoBodyJastrowRef.h:107-132 - exec [...] | 0.01 | 0.04 | 0.01 | 107 | 0.01 | 0.01 | 37.50 | |||
| ►Loop 390 - BsplineFunctor.h:229-260 - exec [...] | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 387.56 | |||
| ○Loop 393 - BsplineFunctor.h:236-241 - exec [...] | 1.3 | 1.98 | 1.47 | 112 | 0.14 | 0.16 | 0.53 | |||
| ○Loop 391 - BsplineFunctor.h:246-260 - exec | 0.07 | 0.14 | 0.08 | 112 | 0.02 | 0.02 | 734.72 | |||
| ○Loop 392 - 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 | 1.36 | 3.16 | 1.54 | 112 | 0.41 | 0.46 | OMP (%): 100.00 | 0.00 | |
| ►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 1.16 | 1.49 | 1.31 | 112 | 0.08 | 0.08 | Exe (%): 100.00 | 218.60 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○Loop 363 - TwoBodyJastrowRef.h:324-331 - exec | 0.33 | 0.45 | 0.37 | 112 | 0.04 | 0.04 | 257.20 | |||
| ○Loop 359 - TwoBodyJastrowRef.h:342-347 - exec | 0.27 | 0.41 | 0.31 | 112 | 0.04 | 0.04 | 205.37 | |||
| ○Loop 357 - TwoBodyJastrowRef.h:342-347 - exec | 0.27 | 0.4 | 0.3 | 112 | 0.04 | 0.04 | 213.17 | |||
| ○Loop 361 - TwoBodyJastrowRef.h:342-347 - exec | 0.27 | 0.46 | 0.31 | 112 | 0.04 | 0.04 | 201.07 | |||
| ○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 | 88 | 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_dgemv_n_intrinsics | libmkl_avx512.so.2 | 0.99 | 1.31 | 1.11 | 112 | 0.07 | 0.07 | Math (%): 100.00 | 306.54 | |
| ○mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0 | libmkl_avx512.so.2 | 0.99 | 1.28 | 1.12 | 112 | 0.05 | 0.06 | Math (%): 100.00 | 1692.74 | |
| ►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<... | exec | 0.84 | 1.2 | 0.95 | 112 | 0.13 | 0.14 | Exe (%): 100.00 | 89.14 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ►Loop 992 - inner_product.hpp:82-155 - exec [...] | 0 | 0.01 | 0 | 100 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 994 - inner_product.hpp:155-155 - exec [...] | 0.58 | 0.83 | 0.65 | 112 | 0.09 | 0.09 | 97.65 | |||
| ○Loop 996 - inner_product.hpp:82-83 - exec | 0.26 | 0.44 | 0.3 | 112 | 0.06 | 0.06 | 70.12 | |||
| ○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 | |||
| ○unknown_function | Unknown module | 0.75 | 1.03 | 0.85 | 114 | 1.89 | 0.13 | Others (%): 100.00 | 0.03 | |
| ○pthread_spin_lock | libpthread-2.28.so | 0.62 | 1.25 | 0.7 | 110 | 0.42 | 0.46 | Pthread (%): 100.00 | 0.00 | |
| ►qmcplusplus::BsplineFunctor<double>::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const | exec | 0.62 | 0.82 | 0.7 | 112 | 0.05 | 0.05 | Exe (%): 100.00 | 86.04 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○Loop 332 - BsplineFunctor.h:291-297 - exec | 0.52 | 0.73 | 0.59 | 112 | 0.05 | 0.05 | 0.44 | |||
| ○Loop 330 - BsplineFunctor.h:303-338 - exec | 0.06 | 0.11 | 0.07 | 112 | 0.02 | 0.02 | 812.08 | |||
| ○Loop 331 - BsplineFunctor.h:291-298 - 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 | 0.56 | 0.75 | 0.63 | 112 | 0.05 | 0.06 | Exe (%): 100.00 | 235.33 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○Loop 351 - TwoBodyJastrowRef.h:155-156 - exec | 0.16 | 0.28 | 0.18 | 112 | 0.03 | 0.03 | 234.18 | |||
| ○Loop 352 - TwoBodyJastrowRef.h:155-156 - exec | 0.15 | 0.23 | 0.17 | 112 | 0.03 | 0.03 | 245.55 | |||
| ○Loop 350 - TwoBodyJastrowRef.h:155-156 - exec | 0.15 | 0.23 | 0.17 | 112 | 0.03 | 0.03 | 248.00 | |||
| ○Loop 354 - stl_numeric.h:126-127 - exec [...] | 0.07 | 0.13 | 0.08 | 112 | 0.02 | 0.02 | 266.41 | |||
| ○Loop 355 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0.02 | 0 | 93 | 0.00 | 0.01 | 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 | 0 | 2 | 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 | 0.55 | 0.78 | 0.62 | 112 | 0.06 | 0.06 | Exe (%): 100.00 | 103.27 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○Loop 981 - inner_product.hpp:155-155 - exec [...] | 0.55 | 0.78 | 0.62 | 112 | 0.06 | 0.06 | 103.17 | |||
| ○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 | 0.39 | 0.55 | 0.43 | 112 | 0.04 | 0.05 | Exe (%): 100.00 | 194.65 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○Loop 982 - inner_product.hpp:155-155 - exec [...] | 0.28 | 0.42 | 0.32 | 112 | 0.04 | 0.05 | 197.18 | |||
| ○Loop 985 - inner_product.hpp:82-83 - exec | 0.1 | 0.16 | 0.11 | 112 | 0.02 | 0.02 | 186.17 | |||
| ○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 | 5 | 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 | 0.32 | 0.48 | 0.36 | 112 | 0.05 | 0.05 | Exe (%): 100.00 | 234.93 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ►Loop 881 - inner_product.hpp:82-83 - exec [...] | 0 | 0.02 | 0 | 94 | 0.00 | 0.01 | 0.00 | |||
| ○Loop 883 - inner_product.hpp:82-83 - exec | 0.31 | 0.46 | 0.36 | 112 | 0.05 | 0.05 | 234.08 | |||
| ○Loop 882 - inner_product.hpp:82-83 - exec | 0 | 0 | 0 | 11 | 0.00 | 0.00 | 0.00 | |||
| ○unknown_kernel_region | kernel | 0.32 | 0.62 | 0.37 | 114 | 0.90 | 0.13 | System (%): 83.44 Math (%): 16.29 OMP (%): 0.24 Pthread (%): 0.02 MPI (%): 0.01 | 2.48 | |
| ►__intel_avx_rep_memcpy | exec | 0.26 | 0.38 | 0.3 | 112 | 0.04 | 0.04 | Memory (%): 100.00 | 0.19 | |
| ○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 | |||
| ►qmcplusplus::DiracMatrix<double, double>::invert_transpose(qmcplusplus::Matrix<double, std::allocator<double> > const&, qmcplusplus::Matrix<double, std::allocator<double> >&, double&, double&) | exec | 0.25 | 0.39 | 0.28 | 112 | 0.04 | 0.04 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○Loop 954 - DiracMatrix.h:112-113 - exec | 0 | 0 | 0 | 5 | 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 | 2 | 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 | 2 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 962 - inner_product.hpp:211-212 - exec | 0.13 | 0.22 | 0.15 | 112 | 0.02 | 0.03 | 0.00 | |||
| ○Loop 961 - inner_product.hpp:211-212 - exec | 0.11 | 0.19 | 0.13 | 112 | 0.02 | 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 | |||
| ○mkl_lapack_xdlaswp | libmkl_core.so.2 | 0.22 | 0.33 | 0.24 | 112 | 0.03 | 0.03 | Math (%): 100.00 | 0.00 | |
| ►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector&l... | exec | 0.15 | 0.35 | 0.17 | 112 | 0.06 | 0.06 | Exe (%): 100.00 | 99.84 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ►Loop 975 - inner_product.hpp:82-155 - exec [...] | 0 | 0 | 0 | 10 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 979 - inner_product.hpp:155-155 - exec [...] | 0.12 | 0.28 | 0.13 | 112 | 0.04 | 0.05 | 97.54 | |||
| ○Loop 977 - inner_product.hpp:82-83 - exec | 0.03 | 0.08 | 0.04 | 112 | 0.02 | 0.02 | 106.99 | |||
| ○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 | |||
| ○mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0 | libmkl_avx512.so.2 | 0.15 | 0.26 | 0.17 | 112 | 0.03 | 0.03 | Math (%): 100.00 | 1833.07 | |
| ○mkl_blas_avx512_dgemm_dcopy_right8_ea | libmkl_avx512.so.2 | 0.11 | 0.18 | 0.12 | 112 | 0.03 | 0.03 | Math (%): 100.00 | 0.00 | |
| ►miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double, ... | exec | 0.11 | 0.2 | 0.13 | 112 | 0.02 | 0.03 | Exe (%): 100.00 | 326.34 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○Loop 367 - TwoBodyJastrowRef.h:423-427 - exec [...] | 0 | 0 | 0 | 21 | 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 | 89 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 383 - TwoBodyJastrowRef.h:381-382 - exec | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 209.88 | |||
| ○Loop 379 - TwoBodyJastrowRef.h:381-382 - exec | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | 209.71 | |||
| ○Loop 381 - TwoBodyJastrowRef.h:381-382 - exec | 0.02 | 0.06 | 0.02 | 112 | 0.01 | 0.01 | 214.96 | |||
| ○Loop 377 - TwoBodyJastrowRef.h:388-391 - exec | 0.01 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | 416.69 | |||
| ○Loop 385 - TwoBodyJastrowRef.h:375-376 - exec | 0.01 | 0.04 | 0.02 | 112 | 0.01 | 0.01 | 307.48 | |||
| ○Loop 375 - TwoBodyJastrowRef.h:397-398 - exec | 0.01 | 0.02 | 0.01 | 112 | 0.00 | 0.00 | 417.81 | |||
| ○Loop 374 - TwoBodyJastrowRef.h:397-398 - exec | 0.01 | 0.02 | 0.01 | 112 | 0.01 | 0.01 | 411.21 | |||
| ○Loop 373 - TwoBodyJastrowRef.h:397-398 - exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 426.96 | |||
| ○Loop 378 - TwoBodyJastrowRef.h:381-382 - exec | 0 | 0 | 0 | 7 | 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 | 0.02 | 0.01 | 112 | 0.00 | 0.00 | 233.81 | |||
| ○Loop 369 - TwoBodyJastrowRef.h:397-398 - exec | 0 | 0 | 0 | 11 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 386 - stl_numeric.h:126-127 - exec [...] | 0 | 0 | 0 | 0 | 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 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 371 - TwoBodyJastrowRef.h:397-398 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 384 - TwoBodyJastrowRef.h:375-376 - exec | 0 | 0 | 0 | 8 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 372 - TwoBodyJastrowRef.h:397-398 - exec | 0 | 0 | 0 | 8 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 388 - TwoBodyJastrowRef.h:269-274 - exec [...] | 0 | 0 | 0 | 15 | 0.00 | 0.00 | 0.00 | |||
| ►qmcplusplus::NonLocalPP<double>::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&) | exec | 0.07 | 0.12 | 0.08 | 112 | 0.02 | 0.02 | Exe (%): 100.00 | 0.78 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○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 | 67 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 76 - NonLocalPP.hpp:126-135 - exec [...] | 0.06 | 0.11 | 0.06 | 112 | 0.02 | 0.02 | 0.34 | |||
| ○Loop 77 - NonLocalPP.hpp:131-132 - exec [...] | 0.01 | 0.03 | 0.01 | 100 | 0.01 | 0.01 | 4.15 | |||
| ○Loop 82 - stl_algobase.h:740-742 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○mkl_blas_avx512_dtrsm_kernel_ll_0 | libmkl_avx512.so.2 | 0.07 | 0.11 | 0.08 | 112 | 0.01 | 0.02 | Math (%): 100.00 | 1209.94 | |
| ►miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | exec | 0.06 | 0.11 | 0.07 | 112 | 0.02 | 0.02 | Exe (%): 100.00 | 254.76 | 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/171-284-5201/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 | 264.81 | |||
| ○Loop 265 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.02 | 0.01 | 112 | 0.01 | 0.01 | 346.26 | |||
| ○Loop 263 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 342.11 | |||
| ○Loop 264 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | 339.31 | |||
| ○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 | 0.00 | 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 | 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 | |||
| ►miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 0.05 | 0.11 | 0.06 | 112 | 0.01 | 0.02 | Exe (%): 100.00 | 10.22 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ►Loop 303 - OneBodyJastrowRef.h:134-155 - exec [...] | 0.01 | 0.02 | 0.01 | 87 | 0.00 | 0.00 | 5.85 | |||
| ►Loop 305 - BsplineFunctor.h:229-260 - exec [...] | 0.01 | 0.02 | 0.01 | 105 | 0.01 | 0.01 | 47.55 | |||
| ○Loop 308 - BsplineFunctor.h:236-241 - exec [...] | 0.04 | 0.1 | 0.04 | 112 | 0.01 | 0.02 | 1.76 | |||
| ○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 | 12 | 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_dgemm_dcopy_down24_ea | libmkl_avx512.so.2 | 0.04 | 0.1 | 0.05 | 112 | 0.01 | 0.02 | Math (%): 100.00 | 8.16 | |
| ○__kmp_api_omp_get_level | libiomp5.so | 0.04 | 0.08 | 0.04 | 112 | 0.01 | 0.01 | OMP (%): 100.00 | 5.24 | |
| ○mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1 | libmkl_avx512.so.2 | 0.03 | 0.05 | 0.03 | 112 | 0.01 | 0.01 | Math (%): 100.00 | 2302.74 | |
| ○__kmp_get_global_thread_id_reg | libiomp5.so | 0.03 | 0.06 | 0.03 | 112 | 0.01 | 0.01 | OMP (%): 100.00 | 10.68 | |
| ○__tls_get_addr | ld-2.28.so | 0.02 | 0.06 | 0.02 | 112 | 0.01 | 0.01 | System (%): 89.31 OMP (%): 10.69 | 16.98 | |
| ►qmcplusplus::Vector<double, std::allocator<double> >::resize(unsigned long, double) | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○Loop 313 - stl_algobase.h:752-754 - exec | 0.02 | 0.04 | 0.02 | 112 | 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 | |||
| ○__dynamic_cast | libstdc++.so.6.0.25 | 0.02 | 0.05 | 0.02 | 111 | 0.01 | 0.01 | Others (%): 100.00 | 3.13 | |
| ►qmcplusplus::TimerType<std::chrono::_V2::system_clock>::stop() | exec | 0.02 | 0.07 | 0.02 | 112 | 0.01 | 0.01 | Exe (%): 100.00 | 16.75 | 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/171-284-5201/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 | 19 | 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 | 108 | 0.01 | 0.01 | OMP (%): 100.00 | 0.00 | |
| ►qmcplusplus::TimerType<std::chrono::_V2::system_clock>::start() | exec | 0.02 | 0.05 | 0.03 | 110 | 0.01 | 0.01 | Exe (%): 100.00 | 0.50 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○Loop 1555 - NewTimer.cpp:53-54 - exec | 0 | 0 | 0 | 10 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 1556 - NewTimer.cpp:39-54 - 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 | 0.03 | 0.02 | 112 | 0.01 | 0.01 | Exe (%): 100.00 | 178.31 | 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/171-284-5201/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 | 0.01 | 0 | 14 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 284 - stl_numeric.h:126-127 - exec | 0 | 0 | 0 | 5 | 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 | 0 | 30 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 297 - OneBodyJastrowRef.h:192-193 - exec | 0.01 | 0.02 | 0.01 | 111 | 0.00 | 0.00 | 66.25 | |||
| ○Loop 300 - OneBodyJastrowRef.h:186-187 - exec | 0 | 0.01 | 0 | 112 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 302 - stl_numeric.h:126-127 - exec [...] | 0 | 0 | 0 | 93 | 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 | 111 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 295 - OneBodyJastrowRef.h:192-193 - exec | 0 | 0.02 | 0 | 110 | 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 | |||
| ►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/171-284-5201/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 | |||
| ○_dl_update_slotinfo | ld-2.28.so | 0.02 | 0.05 | 0.02 | 112 | 0.01 | 0.01 | OMP (%): 50.46 System (%): 49.54 | 15.25 | |
| ○miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.03 | 0.01 | 96 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○mkl_blas_avx512_xdger | libmkl_avx512.so.2 | 0.01 | 0.05 | 0.01 | 111 | 0.01 | 0.01 | Math (%): 100.00 | 155.05 | |
| ►qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&) | exec | 0.01 | 0.02 | 0.01 | 74 | 0.00 | 0.00 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○Loop 102 - WaveFunction.cpp:198-201 - exec [...] | 0 | 0.01 | 0 | 60 | 0.00 | 0.00 | 0.00 | |||
| ○qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector<double, 3u> const&, int, bool) | exec | 0.01 | 0.04 | 0.02 | 107 | 0.01 | 0.01 | Exe (%): 100.00 | 2.80 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ►miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::acceptMove(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.02 | 0.01 | 99 | 0.00 | 0.01 | Exe (%): 100.00 | 30.10 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○Loop 986 - DelayedUpdate.h:147-148 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 989 - DelayedUpdate.h:137-138 - exec | 0 | 0.01 | 0 | 36 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 987 - DelayedUpdate.h:147-148 - exec | 0 | 0 | 0 | 11 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 988 - DelayedUpdate.h:137-138 - exec | 0 | 0 | 0 | 12 | 0.00 | 0.00 | 0.00 | |||
| ►qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&) | exec | 0.01 | 0.03 | 0.01 | 98 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ►Loop 108 - WaveFunction.cpp:263-274 - exec [...] | 0 | 0.01 | 0 | 56 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 109 - WaveFunction.cpp:273-274 - exec | 0 | 0 | 0 | 1 | 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 | 15 | 0.00 | 0.00 | 0.00 | |||
| ○__kmp_api_omp_in_parallel | libiomp5.so | 0.01 | 0.04 | 0.01 | 86 | 0.01 | 0.01 | OMP (%): 100.00 | 0.00 | |
| ○__cxxabiv1::__vmi_class_type_info::__do_dyncast(long, __cxxabiv1::__class_type_info::__sub_kind, __cxxabiv1::__class_type_info const*, void const*, __cxxabiv1::__class_type_info const*, void const*, __cxxabiv1::__class_type_info::__dyncast_result&) co... | libstdc++.so.6.0.25 | 0.01 | 0.05 | 0.01 | 109 | 0.01 | 0.01 | Others (%): 100.00 | 9.40 | |
| ○qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector<double, 3u> const&, bool) | exec | 0.01 | 0.03 | 0.01 | 100 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○update_get_addr | ld-2.28.so | 0.01 | 0.04 | 0.01 | 105 | 0.01 | 0.01 | OMP (%): 100.00 | 11.35 | |
| ○qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::update(int) | exec | 0.01 | 0.03 | 0.01 | 104 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○_intel_fast_memset | exec | 0.01 | 0.03 | 0.01 | 106 | 0.01 | 0.01 | Memory (%): 100.00 | 11.00 | |
| ►miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::computeU3(qmcplusplus::ParticleSet&, int, double const*) | exec | 0.01 | 0.04 | 0.01 | 101 | 0.01 | 0.01 | Exe (%): 100.00 | 4.20 | 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/171-284-5201/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 | 1.80 | |||
| ○Loop 328 - OneBodyJastrowRef.h:231-237 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○mkl_blas_xdgemv | libmkl_core.so.2 | 0.01 | 0.03 | 0.01 | 81 | 0.00 | 0.01 | Math (%): 100.00 | 1.65 | |
| ○miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evalGrad(qmcplusplus::ParticleSet&, int) | exec | 0.01 | 0.02 | 0.01 | 78 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ►qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, 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) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○Loop 101 - WaveFunction.cpp:185-188 - exec [...] | 0 | 0.02 | 0 | 68 | 0.00 | 0.00 | 0.00 | |||
| ►qmcplusplus::ParticleSet::acceptMove(int) | exec | 0.01 | 0.03 | 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) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --driver-mode=g++ --intel -I /scratch_na/users/xoserete/qaas_runs/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○Loop 1238 - ParticleSet.cpp:389-390 - exec [...] | 0 | 0.01 | 0 | 42 | 0.00 | 0.00 | 0.00 | |||
| ►qmcplusplus::ParticleSet::update(bool) | exec | 0.01 | 0.04 | 0.01 | 106 | 0.01 | 0.01 | Exe (%): 100.00 | 1.15 | 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/171-284-5201/intel/miniqmc/build/miniqmc/src -I /scratch_na/u... |
| ○Loop 1225 - ParticleSet.cpp:242-243 - exec [...] | 0.01 | 0.02 | 0.01 | 94 | 0.00 | 0.01 | 0.00 | |||
| ○__libm_exp_z0 | exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | Math (%): 100.00 | 101.15 | |
| ○mkl_blas_avx512_xdgemv | libmkl_avx512.so.2 | 0.01 | 0.03 | 0.01 | 102 | 0.01 | 0.01 | Math (%): 100.00 | 13.80 | |
| ►main.extracted.110 | exec | 0.01 | 0.03 | 0.01 | 112 | 0.01 | 0.01 | Exe (%): 100.00 | 56.00 | 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/171-284-5201/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 | 0 | 4 | 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 | 100 | 0.01 | 0.01 | 0.05 | |||
| ►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 | 8 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 51 - random.tcc:401-3332 - exec [...] | 0 | 0 | 0 | 18 | 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 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 43 - RandomGenerator.h:51-55 - exec [...] | 0 | 0.01 | 0 | 100 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 44 - random.tcc:401-3332 - exec [...] | 0 | 0 | 0 | 110 | 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 | 53 | 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 | 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 |