options

Functions and Loops

84 loops and 196 functions have been discarded from the report because their coverage is lower than the threshold set by object_coverage_threshold (0.01%). It represents about 0% of the application. To include them, change the value of object_coverage_threshold in the experiment directory configuration file, then rerun the command with the additionnal parameter --force-static-analysis

Colums Filter

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
NameModuleCoverage run_0 (%)Max Time Over Threads run_0 (s)Time w.r.t. Wall Time run_0 (s)Nb Threads run_0Deviation (coverage) run_0Deviation (walltime) run_0Categories run_0GFLOPS run_0Compilation Options
miniqmcreference::einspline_spo_ref<double>::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector<double, std::allocator<double> >&)+exec28.4723.7522.941120.760.66Exe (%): 100.00266.11clang 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 [...]+0.020.040.021120.010.0115.25
Loop 871 - MultiBsplineRef.hpp:63-71 - exec+0.010.0201120.010.000.00
Loop 872 - MultiBsplineRef.hpp:64-71 - exec+0.010.030.011120.010.01686.42
Loop 873 - MultiBsplineRef.hpp:68-70 - exec28.4123.6922.881120.760.66266.32
Loop 869 - einspline_spo_ref.hpp:183-187 - exec [...]00.030410.010.000.00
mkl_blas_avx512_dgemm_kernel_0libmkl_avx512.so.213.5311.0210.891120.200.17Math (%): 100.001814.25
miniqmcreference::einspline_spo_ref<double>::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<qmcplusplus::TinyVector<double, 3u>, std::allocator<...+exec12.6711.2310.211120.390.32Exe (%): 100.00835.62clang 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 [...]+0.020.050.021120.010.0140.53
Loop 877 - MultiBsplineRef.hpp:276-286 - exec0.440.460.361120.060.04304.46
Loop 878 - MultiBsplineRef.hpp:226-262 - exec [...]+00.0201120.000.000.00
Loop 879 - MultiBsplineRef.hpp:227-262 - exec [...]+0.020.030.011120.010.01864.23
Loop 880 - MultiBsplineRef.hpp:242-262 - exec [...]11.29.99.021120.350.29932.52
Loop 874 - einspline_spo_ref.hpp:219-227 - exec [...]+00.01070.000.000.00
Loop 875 - einspline_spo_ref.hpp:223-227 - exec [...]0.960.920.771120.090.070.00
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b1libmkl_avx512.so.212.6610.2910.21120.170.16Math (%): 100.001807.09
qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::evaluate(qmcplusplus::ParticleSet&)+exec9.47.847.571120.220.21Exe (%): 100.00384.79clang 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 [...]00000.000.000.00
Loop 2094 - SoaDistanceTableABOMPTarget.h:194-196 - exec+00000.000.000.00
Loop 2093 - SoaDistanceTableABOMPTarget.h:195-196 - exec00000.000.000.00
Loop 2092 - SoaDistanceTableABOMPTarget.h:194-196 - exec00000.000.000.00
Loop 2088 - SoaDistanceTableABOMPTarget.h:214-228 - exec [...]+00.0101040.000.000.00
Loop 2089 - SoaDistanceTableABOMPTarget.h:215-228 - exec [...]+0.010.030.011120.010.0181.95
Loop 2090 - SoaDistanceTableABOMPTarget.h:228-228 - exec [...]9.387.817.551120.220.21385.68
Loop 2091 - SoaDistanceTableABOMPTarget.h:194-196 - exec00.010330.000.000.00
Loop 2095 - VectorSoAContainer.h:151-176 - exec [...]00010.000.000.00
qmcplusplus::SoaDistanceTableAAOMPTarget<double, 3u, 40>::update(int)+exec5.374.664.321120.240.18Exe (%): 100.000.00clang 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 [...]5.364.664.321120.240.170.00
void qmcplusplus::DTD_BConds<double, 3u, 40>::computeDistances<qmcplusplus::TinyVector<double, 3u>, qmcplusplus::VectorSoAContainer<double, 3u, qmcplusplus::Mallocator<double, 64ul> >, qmcplusplus::VectorSoAContainer<double, 3...+exec2.021.911.621120.140.11Exe (%): 100.001327.40clang 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 - exec21.91.611120.140.111335.46
Loop 1369 - ParticleBConds3DSoa.h:235-256 - exec00.010620.000.000.00
Loop 1368 - ParticleBConds3DSoa.h:235-255 - exec00.010130.000.000.00
kmp_flag_64<false, true>::wait(kmp_info*, int, void*)libiomp5.so1.92.851.531120.540.43OMP (%): 100.000.00
__intel_avx_rep_memset+exec1.671.541.351120.110.09Memory (%): 100.000.23
Loop 2345 - - exec0.950.90.771120.080.060.34
mkl_blas_avx512_dgemv_t_intrinsicslibmkl_avx512.so.21.61.411.291120.100.08Math (%): 100.00365.68
miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&)+exec1.391.381.121120.110.09Exe (%): 100.0060.22clang 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 [...]+0.010.030.011070.010.0136.70
Loop 390 - BsplineFunctor.h:229-260 - exec [...]+0.030.050.021120.010.01364.41
Loop 393 - BsplineFunctor.h:236-241 - exec [...]1.251.2411120.100.080.68
Loop 391 - BsplineFunctor.h:246-260 - exec0.110.150.091120.030.02656.89
Loop 392 - BsplineFunctor.h:236-241 - exec00000.000.000.00
mkl_blas_avx512_dgemv_n_intrinsicslibmkl_avx512.so.21.091.020.881120.080.06Math (%): 100.00372.91
miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.930.90.751120.080.06Exe (%): 100.00378.24clang 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 - exec0.250.290.21120.050.04470.14
Loop 359 - TwoBodyJastrowRef.h:342-347 - exec0.220.250.171120.040.03373.69
Loop 357 - TwoBodyJastrowRef.h:342-347 - exec0.220.240.181120.040.03347.07
Loop 361 - TwoBodyJastrowRef.h:342-347 - exec0.220.250.171120.040.03365.81
Loop 360 - TwoBodyJastrowRef.h:342-347 - exec00000.000.000.00
Loop 365 - TwoBodyJastrowRef.h:269-274 - exec [...]00.020850.000.000.00
Loop 362 - TwoBodyJastrowRef.h:324-331 - exec00000.000.000.00
Loop 364 - TwoBodyJastrowRef.h:269-274 - exec [...]00000.000.000.00
Loop 356 - TwoBodyJastrowRef.h:342-347 - exec00000.000.000.00
Loop 358 - TwoBodyJastrowRef.h:342-347 - exec00000.000.000.00
mkl_blas_avx512_dgemm_kernel_nocopy_TN_b0libmkl_avx512.so.20.840.810.681120.080.06Math (%): 100.002176.96
unknown_functionUnknown module0.710.710.571130.320.07Others (%): 100.000.04
miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<...+exec0.680.610.551120.030.02Exe (%): 100.00153.99clang 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 [...]+00.010910.000.000.00
Loop 994 - inner_product.hpp:155-155 - exec [...]0.480.440.381120.030.03167.21
Loop 996 - inner_product.hpp:82-83 - exec0.20.240.161120.030.03131.46
Loop 993 - inner_product.hpp:155-155 - exec [...]00000.000.000.00
Loop 995 - inner_product.hpp:82-83 - exec00000.000.000.00
qmcplusplus::BsplineFunctor<double>::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) const+exec0.660.730.531120.070.05Exe (%): 100.00111.77clang 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 - exec0.520.560.421120.060.050.56
Loop 330 - BsplineFunctor.h:303-338 - exec0.080.140.071120.020.02798.51
Loop 331 - BsplineFunctor.h:291-298 - exec00040.000.000.00
miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&)+exec0.630.620.511120.070.05Exe (%): 100.00291.18clang 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 - exec0.180.20.141120.030.03305.08
Loop 351 - TwoBodyJastrowRef.h:155-156 - exec0.170.210.141120.030.03306.07
Loop 350 - TwoBodyJastrowRef.h:155-156 - exec0.170.190.141120.030.02295.19
Loop 354 - stl_numeric.h:126-127 - exec [...]0.090.110.071120.020.02293.64
Loop 355 - TwoBodyJastrowRef.h:269-274 - exec [...]00.020880.010.000.00
Loop 347 - TwoBodyJastrowRef.h:155-156 - exec00000.000.000.00
Loop 348 - TwoBodyJastrowRef.h:155-156 - exec00000.000.000.00
Loop 353 - TwoBodyJastrowRef.h:0-0 - exec [...]00.010340.000.000.00
Loop 349 - TwoBodyJastrowRef.h:155-156 - exec00000.000.000.00
miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.480.540.391120.060.05Exe (%): 100.00163.99clang 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 [...]0.470.540.381120.060.05168.01
Loop 980 - inner_product.hpp:155-155 - exec [...]00000.000.000.00
miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&)+exec0.450.480.361120.060.04Exe (%): 100.00234.08clang 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 [...]0.340.340.271120.050.04233.46
Loop 985 - inner_product.hpp:82-83 - exec0.10.120.081120.020.02262.76
Loop 983 - inner_product.hpp:155-155 - exec [...]00000.000.000.00
Loop 984 - DiracDeterminantRef.cpp:0-0 - exec00020.000.000.00
qmcplusplus::SPOSet::evaluateDetRatios(qmcplusplus::VirtualParticleSet const&, qmcplusplus::Vector<double, std::allocator<double> >&, qmcplusplus::Vector<double, std::allocator<double> > const&, std::vector<double, st...+exec0.360.390.291120.050.04Exe (%): 100.00292.79clang 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 [...]+0.010.0201010.010.000.00
Loop 883 - inner_product.hpp:82-83 - exec0.350.390.281120.050.04301.82
Loop 882 - inner_product.hpp:82-83 - exec00020.000.000.00
unknown_kernel_regionkernel0.350.490.281130.730.12System (%): 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&)+exec0.280.250.221120.020.01Exe (%): 100.000.01clang 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 - exec00000.000.000.00
Loop 953 - DiracMatrix.h:112-113 - exec00000.000.000.00
Loop 951 - DiracMatrix.h:31-35 - exec [...]00010.000.000.00
Loop 957 - inner_product.hpp:211-212 - exec00000.000.000.00
Loop 952 - DiracMatrix.h:31-35 - exec [...]00000.000.000.00
Loop 956 - inner_product.hpp:211-212 - exec00000.000.000.00
Loop 960 - inner_product.hpp:210-212 - exec+00000.000.000.00
Loop 962 - inner_product.hpp:211-212 - exec0.150.170.121120.020.020.00
Loop 961 - inner_product.hpp:211-212 - exec0.130.160.111120.030.020.00
Loop 959 - inner_product.hpp:211-212 - exec00000.000.000.00
Loop 958 - inner_product.hpp:211-212 - exec00000.000.000.00
Loop 955 - Mallocator.hpp:69-69 - exec [...]00000.000.000.00
__intel_avx_rep_memcpy+exec0.220.270.171120.040.03Memory (%): 100.000.14
Loop 2343 - - exec00000.000.000.00
Loop 2344 - - exec00000.000.000.00
miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector<double, ...+exec0.160.180.131120.020.02Exe (%): 100.00327.48clang 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 [...]00.010150.000.000.00
Loop 368 - TwoBodyJastrowRef.h:268-420 - exec [...]+00000.000.000.00
Loop 370 - stl_algobase.h:752-754 - exec [...]+00.010820.000.000.00
Loop 383 - TwoBodyJastrowRef.h:381-382 - exec0.030.050.021120.010.01213.81
Loop 379 - TwoBodyJastrowRef.h:381-382 - exec0.030.060.021120.010.01213.93
Loop 381 - TwoBodyJastrowRef.h:381-382 - exec0.030.050.021120.010.01209.48
Loop 377 - TwoBodyJastrowRef.h:388-391 - exec0.020.030.011120.010.01818.57
Loop 385 - TwoBodyJastrowRef.h:375-376 - exec0.020.040.021120.010.01321.16
Loop 375 - TwoBodyJastrowRef.h:397-398 - exec0.010.040.011120.010.01421.21
Loop 374 - TwoBodyJastrowRef.h:397-398 - exec0.010.030.011120.010.01424.61
Loop 373 - TwoBodyJastrowRef.h:397-398 - exec0.010.020.011120.010.01425.21
Loop 378 - TwoBodyJastrowRef.h:381-382 - exec00080.000.000.00
Loop 380 - TwoBodyJastrowRef.h:381-382 - exec00060.000.000.00
Loop 387 - stl_numeric.h:126-127 - exec [...]00.0101120.000.000.00
Loop 369 - TwoBodyJastrowRef.h:397-398 - exec00050.000.000.00
Loop 386 - stl_numeric.h:126-127 - exec [...]00010.000.000.00
Loop 376 - TwoBodyJastrowRef.h:388-391 - exec00000.000.000.00
Loop 382 - TwoBodyJastrowRef.h:381-382 - exec00.01070.000.000.00
Loop 371 - TwoBodyJastrowRef.h:397-398 - exec00050.000.000.00
Loop 384 - TwoBodyJastrowRef.h:375-376 - exec00040.000.000.00
Loop 372 - TwoBodyJastrowRef.h:397-398 - exec00070.000.000.00
Loop 388 - TwoBodyJastrowRef.h:269-274 - exec [...]00.010230.000.000.00
mkl_lapack_xdlaswplibmkl_core.so.20.130.150.11120.020.02Math (%): 100.000.00
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b0libmkl_avx512.so.20.130.170.111120.030.02Math (%): 100.001853.59
miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib<qmcplusplus::TinyVector<double, 3u>, std::allocator<qmcplusplus::TinyVector&l...+exec0.110.130.091120.020.01Exe (%): 100.00188.51clang 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 [...]+00070.000.000.00
Loop 979 - inner_product.hpp:155-155 - exec [...]0.090.110.071120.020.01181.22
Loop 977 - inner_product.hpp:82-83 - exec0.020.040.021120.010.01213.51
Loop 976 - inner_product.hpp:82-83 - exec00000.000.000.00
Loop 978 - inner_product.hpp:155-155 - exec [...]00000.000.000.00
miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&)+exec0.080.140.061120.020.02Exe (%): 100.00285.75clang 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 - exec0.020.050.021120.010.01245.71
Loop 265 - OneBodyJastrowRef.h:192-193 - exec0.010.030.011120.010.01333.76
Loop 263 - OneBodyJastrowRef.h:192-193 - exec0.010.020.011120.010.01342.91
Loop 264 - OneBodyJastrowRef.h:192-193 - exec0.010.030.011120.010.01331.86
Loop 259 - OneBodyJastrowRef.h:186-187 - exec00000.000.000.00
Loop 258 - stl_numeric.h:126-127 - exec [...]00.0201120.010.000.00
Loop 260 - OneBodyJastrowRef.h:192-193 - exec00000.000.000.00
Loop 261 - OneBodyJastrowRef.h:192-193 - exec00000.000.000.00
Loop 262 - OneBodyJastrowRef.h:192-193 - exec00000.000.000.00
Loop 257 - OneBodyJastrowRef.h:0-0 - exec [...]00000.000.000.00
Loop 267 - OneBodyJastrowRef.h:188-194 - exec+00000.000.000.00
Loop 266 - OneBodyJastrowRef.h:192-193 - exec00000.000.000.00
qmcplusplus::NonLocalPP<double>::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)+exec0.080.10.061120.020.02Exe (%): 100.001.05clang 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 [...]+0.010.020.01650.010.000.00
Loop 76 - NonLocalPP.hpp:126-135 - exec [...]+0.060.090.051120.020.010.58
Loop 77 - NonLocalPP.hpp:131-132 - exec [...]0.010.020.01900.010.003.40
Loop 74 - OhmmsVector.h:48-210 - exec [...]00000.000.000.00
Loop 80 - stl_uninitialized.h:526-526 - exec [...]00000.000.000.00
Loop 81 - stl_algobase.h:740-742 - exec00000.000.000.00
Loop 79 - stl_uninitialized.h:526-526 - exec [...]00000.000.000.00
Loop 78 - NonLocalPP.hpp:110-111 - exec [...]00000.000.000.00
Loop 82 - stl_algobase.h:740-742 - exec00000.000.000.00
mkl_blas_avx512_dgemm_dcopy_right8_ealibmkl_avx512.so.20.070.090.051120.020.02Math (%): 100.000.00
miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&)+exec0.050.070.041120.020.01Exe (%): 100.0014.15clang 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 [...]+00.020660.000.000.00
Loop 305 - BsplineFunctor.h:229-260 - exec [...]+0.010.0201050.010.000.00
Loop 308 - BsplineFunctor.h:236-241 - exec [...]0.030.060.031120.010.012.43
Loop 307 - BsplineFunctor.h:236-241 - exec00000.000.000.00
Loop 306 - BsplineFunctor.h:246-260 - exec00.01060.000.000.00
Loop 304 - BsplineFunctor.h:166-181 - exec [...]00000.000.000.00
mkl_blas_avx512_dtrsm_kernel_ll_0libmkl_avx512.so.20.050.070.041120.020.01Math (%): 100.002287.07
__kmp_api_omp_get_levellibiomp5.so0.040.060.031120.010.01OMP (%): 100.006.42
mkl_blas_avx512_dgemm_dcopy_down24_ealibmkl_avx512.so.20.040.060.031120.020.01Math (%): 100.006.00
__libm_exp_z0exec0.030.060.031120.020.02Math (%): 100.0035.63
mkl_blas_avx512_dgemm_kernel_nocopy_NN_b1libmkl_avx512.so.20.030.050.021120.010.01Math (%): 100.002787.89
__kmp_get_global_thread_id_reglibiomp5.so0.030.050.021120.010.01OMP (%): 100.0012.95
__dynamic_castlibstdc++.so.6.0.250.030.060.031110.020.01Others (%): 100.001.43
qmcplusplus::TimerType<std::chrono::_V2::system_clock>::stop()+exec0.030.080.021110.020.01Exe (%): 100.0013.25clang 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 [...]00000.000.000.00
Loop 1557 - NewTimer.cpp:99-100 - exec00.01040.000.000.00
qmcplusplus::TimerType<std::chrono::_V2::system_clock>::start()+exec0.030.070.031110.020.01Exe (%): 100.000.73clang 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 - exec00050.000.000.00
Loop 1556 - NewTimer.cpp:39-54 - exec [...]00000.000.000.00
main.extracted.110+exec0.020.040.011120.010.01Exe (%): 100.0054.50clang 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 [...]00000.000.000.00
Loop 24 - new_allocator.h:101-125 - exec [...]+00000.000.000.00
Loop 26 - random.tcc:401-3332 - exec [...]+00000.000.000.00
Loop 28 - random.tcc:409-414 - exec00000.000.000.00
Loop 27 - random.tcc:401-406 - exec00000.000.000.00
Loop 54 - stl_algobase.h:741-742 - exec00000.000.000.00
Loop 55 - stl_algobase.h:740-742 - exec00000.000.000.00
Loop 57 - stl_algobase.h:740-742 - exec00.01070.000.000.00
Loop 29 - random.tcc:401-3332 - exec [...]+00000.000.000.00
Loop 30 - random.tcc:401-406 - exec00000.000.000.00
Loop 31 - random.tcc:409-414 - exec00000.000.000.00
Loop 56 - stl_algobase.h:741-742 - exec00000.000.000.00
Loop 32 - random.tcc:401-3332 - exec [...]+00000.000.000.00
Loop 34 - random.tcc:409-414 - exec00000.000.000.00
Loop 33 - random.tcc:401-406 - exec00000.000.000.00
Loop 35 - StdRandom.h:102-103 - exec [...]+00010.000.000.00
Loop 36 - miniqmc.cpp:429-458 - exec [...]0.010.040.011030.010.010.10
Loop 40 - random.tcc:401-3332 - exec [...]+00000.000.000.00
Loop 42 - random.tcc:409-414 - exec00000.000.000.00
Loop 41 - random.tcc:401-406 - exec00000.000.000.00
Loop 50 - StdRandom.h:102-103 - exec [...]+00.01040.000.000.00
Loop 51 - random.tcc:401-3332 - exec [...]+000150.000.000.00
Loop 53 - random.tcc:409-414 - exec00010.000.000.00
Loop 52 - random.tcc:401-406 - exec00010.000.000.00
Loop 43 - RandomGenerator.h:51-55 - exec [...]+00.0101030.000.000.00
Loop 44 - random.tcc:401-3332 - exec [...]+0001110.000.000.00
Loop 45 - random.tcc:401-406 - exec00000.000.000.00
Loop 46 - random.tcc:409-414 - exec00000.000.000.00
Loop 47 - random.tcc:401-3332 - exec [...]+00.010500.000.000.00
Loop 48 - random.tcc:401-406 - exec00020.000.000.00
Loop 49 - random.tcc:409-414 - exec00020.000.000.00
Loop 37 - random.tcc:401-3332 - exec [...]+00000.000.000.00
Loop 38 - random.tcc:401-406 - exec00000.000.000.00
Loop 39 - random.tcc:409-414 - exec00000.000.000.00
Loop 25 - NonLocalPP.hpp:110-111 - exec [...]00000.000.000.00
__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.6.0.250.020.040.021100.010.01Others (%): 100.003.73
qmcplusplus::Vector<double, std::allocator<double> >::resize(unsigned long, double)+exec0.020.040.021070.010.01Exe (%): 100.000.00clang 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 - exec0.020.040.021070.010.010.00
Loop 311 - stl_algobase.h:752-754 - exec00000.000.000.00
Loop 310 - stl_algobase.h:752-754 - exec00000.000.000.00
Loop 312 - stl_algobase.h:752-754 - exec00000.000.000.00
qmcplusplus::SoaDistanceTableABOMPTarget<double, 3u, 40>::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector<double, 3u> const&, int, bool)exec0.020.040.021060.010.01Exe (%): 100.002.70clang 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_addrld-2.28.so0.020.040.021110.010.01System (%): 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, ...+exec0.020.020.011120.000.00Exe (%): 100.00356.56clang 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 [...]00000.000.000.00
Loop 281 - OneBodyJastrowRef.h:169-169 - exec [...]00050.000.000.00
Loop 284 - stl_numeric.h:126-127 - exec00030.000.000.00
Loop 289 - OneBodyJastrowRef.h:169-169 - exec [...]+00000.000.000.00
Loop 288 - TinyVectorOps.h:49-49 - exec [...]00000.000.000.00
Loop 285 - OneBodyJastrowRef.h:171-172 - exec00050.000.000.00
Loop 286 - OneBodyJastrowRef.h:171-172 - exec00000.000.000.00
Loop 282 - OneBodyJastrowRef.h:171-172 - exec00000.000.000.00
Loop 283 - OneBodyJastrowRef.h:0-0 - exec00000.000.000.00
Loop 290 - OneBodyJastrowRef.h:109-194 - exec [...]+00.010300.000.000.00
Loop 297 - OneBodyJastrowRef.h:192-193 - exec0.010.0201110.010.000.00
Loop 300 - OneBodyJastrowRef.h:186-187 - exec00.0201120.000.000.00
Loop 302 - stl_numeric.h:126-127 - exec [...]00.010880.000.000.00
Loop 301 - OneBodyJastrowRef.h:0-0 - exec [...]00000.000.000.00
Loop 296 - OneBodyJastrowRef.h:192-193 - exec00.0201080.000.000.00
Loop 295 - OneBodyJastrowRef.h:192-193 - exec00.0201090.000.000.00
Loop 293 - OneBodyJastrowRef.h:192-193 - exec00000.000.000.00
Loop 294 - OneBodyJastrowRef.h:192-193 - exec00000.000.000.00
Loop 292 - OneBodyJastrowRef.h:192-193 - exec00000.000.000.00
Loop 299 - OneBodyJastrowRef.h:188-194 - exec+00000.000.000.00
Loop 298 - OneBodyJastrowRef.h:192-193 - exec00000.000.000.00
Loop 291 - OneBodyJastrowRef.h:186-187 - exec00000.000.000.00
kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check()libiomp5.so0.020.050.021090.010.01OMP (%): 100.000.00
miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::resize(int, int)+exec0.020.040.021120.010.01Exe (%): 100.000.00clang 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 - exec0.020.040.021120.010.010.00
Loop 999 - stl_algobase.h:740-742 - exec00000.000.000.00
Loop 1002 - stl_algobase.h:740-742 - exec00000.000.000.00
Loop 998 - stl_algobase.h:740-742 - exec00000.000.000.00
Loop 1001 - stl_algobase.h:740-742 - exec00000.000.000.00
Loop 1000 - stl_algobase.h:740-742 - exec00000.000.000.00
Loop 997 - stl_algobase.h:740-742 - exec00000.000.000.00
Loop 1003 - stl_algobase.h:741-742 - exec00000.000.000.00
mkl_blas_avx512_xdgemvlibmkl_avx512.so.20.020.040.011040.010.01Math (%): 100.0010.10
_dl_update_slotinfold-2.28.so0.020.050.021120.010.01System (%): 57.94
OMP (%): 42.06
11.43
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector<double, std::allocator<double> >&)+exec0.010.030.01960.010.01Exe (%): 100.000.70clang 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 [...]+00.020510.000.000.00
Loop 109 - WaveFunction.cpp:273-274 - exec00050.000.000.00
Loop 111 - WaveFunction.cpp:273-274 - exec00000.000.000.00
Loop 110 - WaveFunction.cpp:273-274 - exec00.010180.000.000.00
miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.030.01840.010.00Exe (%): 100.000.00clang 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_xdgemvlibmkl_core.so.20.010.020640.010.00Math (%): 100.000.00
qmcplusplus::ParticleSet::acceptMove(int)+exec0.010.030.01790.010.01Exe (%): 100.000.00clang 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 [...]00.020230.000.000.00
update_get_addrld-2.28.so0.010.030.011030.010.01OMP (%): 100.00
System (%): 0.00
9.20
miniqmcreference::DiracDeterminantRef<qmcplusplus::DelayedUpdate<double, double> >::acceptMove(qmcplusplus::ParticleSet&, int)+exec0.010.020.01950.010.01Exe (%): 100.0024.25clang 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 - exec00.01060.000.000.00
Loop 989 - DelayedUpdate.h:137-138 - exec00.020130.010.000.00
Loop 987 - DelayedUpdate.h:147-148 - exec00.010110.000.000.00
Loop 988 - DelayedUpdate.h:137-138 - exec00030.000.000.00
qmcplusplus::RealSpacePositionsOMPTarget::getAllParticlePos() constexec0.010.030.01690.010.01Exe (%): 100.000.25clang 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)exec0.010.030.01840.010.00Exe (%): 100.000.00clang 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_parallellibiomp5.so0.010.030.01750.010.00OMP (%): 100.000.00
_intel_fast_memsetexec0.010.020.011010.010.01Memory (%): 100.008.20
qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector<double, 3u> const&, bool)exec0.010.030.01970.010.00Exe (%): 100.000.00clang 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)+exec0.010.030.01990.010.01Exe (%): 100.001.45clang 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 [...]0.010.020.01800.010.000.00
miniqmcreference::TwoBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::evalGrad(qmcplusplus::ParticleSet&, int)exec0.010.020.01670.010.00Exe (%): 100.000.00clang 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_numlibiomp5.so0.010.030.01700.010.00OMP (%): 100.000.00
qmcplusplus::SoaDistanceTableAAOMPTarget<double, 3u, 40>::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector<double, 3u> const&, int, bool)exec0.010.020.01660.010.00Exe (%): 100.001.20clang 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_finalizelibmpi.so.12.0.00.010.60.0110.000.00MPI (%): 100.000.00
qmcplusplus::Vector<double, qmcplusplus::OMPallocator<double, qmcplusplus::Mallocator<double, 64ul> > >::resize(unsigned long, double)+exec0.010.020630.000.00Exe (%): 100.000.00clang 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 - exec00.020460.000.000.00
Loop 1055 - stl_algobase.h:752-754 - exec00000.000.000.00
Loop 1056 - stl_algobase.h:752-754 - exec00000.000.000.00
Loop 1057 - stl_algobase.h:752-754 - exec00000.000.000.00
qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)+exec0.010.030.01740.010.01Exe (%): 100.000.00clang 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 [...]00.020540.010.000.00
miniqmcreference::OneBodyJastrowRef<qmcplusplus::BsplineFunctor<double> >::computeU3(qmcplusplus::ParticleSet&, int, double const*)+exec0.010.030.011000.010.01Exe (%): 100.002.00clang 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 [...]0.010.030.01990.010.010.60
Loop 328 - OneBodyJastrowRef.h:231-237 - exec [...]00000.000.000.00
mkl_blas_avx512_xdgerlibmkl_avx512.so.20.010.040.011110.010.01Math (%): 100.00159.35
qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector<double, 3u>&)+exec0.010.030.01880.010.00Exe (%): 100.000.20clang 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 [...]0.010.020710.000.000.00
×