Match comparison for Hartree energy (match type 30556)

Commits > Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 > Input 18-mgga.02-br89_oep.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.641734400000000e+00 1.920000000000000e-05 4.641740630909091e+00 5.326588745031817e-06 4.641734410000000e+00 1.746999999996390e-05 PASS
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Detailed information

Reference: 4.6417344, precision: 0.0000192
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] 4.641743520000000e+00 9.120000000528705e-06 4.750000000275367e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] 4.641743520000000e+00 9.120000000528705e-06 4.750000000275367e-01 PASS
foss-serial-min: [foss2022a-serial] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss-serial-min: [foss2023a-serial] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
intel_autotools: [intel2023a-serial] 4.641739450000000e+00 5.050000000395016e-06 2.630208333539071e-01 PASS
foss-opt-full: [foss2023a-serial] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss-serial-min: [foss2023b-serial] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss-serial-full: [foss2023a-serial] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss-serial-full: [foss2023b-serial] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 4.641743520000000e+00 9.120000000528705e-06 4.750000000275367e-01 PASS
foss-ppc: [foss2022a-serial] 4.641745450000000e+00 1.105000000034551e-05 5.755208333513284e-01 PASS
intel_omp_autotools: [intel2022a-serial] 4.641747940000000e+00 1.354000000031164e-05 7.052083333495645e-01 PASS
intel_omp_autotools: [intel2023a-serial] 4.641747970000000e+00 1.357000000012931e-05 7.067708333400684e-01 PASS
foss-serial-debug: [foss2023a-serial] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss-omp-full: [foss2023a-serial] 4.641740230000000e+00 5.830000000095481e-06 3.036458333383063e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 4.641743520000000e+00 9.120000000528705e-06 4.750000000275367e-01 PASS
foss-mpi-full: [foss2023a-mpi] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 4.641739450000000e+00 5.050000000395016e-06 2.630208333539071e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss-mpi-min: [foss2023a-mpi] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss-mpi-min: [foss2022a-mpi] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 4.641747910000000e+00 1.351000000049396e-05 7.036458333590605e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 4.641740230000000e+00 5.830000000095481e-06 3.036458333383063e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 4.641751880000000e+00 1.748000000034722e-05 9.104166666847510e-01 PASS
valgrind: [foss2023a-serial] 4.641738290000000e+00 3.890000000339455e-06 2.026041666843466e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 4.641716940000000e+00 -1.745999999958059e-05 -9.093749999781557e-01 PASS