Match comparison for Hartree energy (match type 30379)

Commits > Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.266259827000000e+01 3.630000000000000e-07 2.266259831388889e+01 2.494691898812003e-07 2.266259835500000e+01 2.650000006099162e-07 PASS

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Detailed information

Reference: 22.66259827, precision: 0.000000363
Run Value Difference Relative difference Status
foss-serial-zen4: [foss2023a-serial] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
intel-serial: [intel2023a-serial] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
foss-serial-debug: [foss2023a-serial] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
intel-min-parallel: [intel2022a-mpi] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
intel-parallel: [intel2023a-mpi] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
foss-parallel-zen4: [foss2023a-mpi] 2.266259862000000e+01 3.500000005374204e-07 9.641873293041885e-01 PASS
foss-min-parallel-zen4: [foss2023a-mpi] 2.266259860000000e+01 3.299999988826130e-07 9.090909060127079e-01 PASS
autotools_foss_mpi_omp: [foss2023a-mpi] 2.266259857000000e+01 2.999999999531155e-07 8.264462808625772e-01 PASS
foss-serial: [foss2023a-serial] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
foss-parallel-debug: [foss2023a-mpi] 2.266259859000000e+01 3.200000016079230e-07 8.815427041540578e-01 PASS
ppc: [foss2023a-serial] 2.266259810000000e+01 -1.699999998550084e-07 -4.683195588292241e-01 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
autotools_intel_mpi_omp: [intel2023a-mpi] 2.266259860000000e+01 3.299999988826130e-07 9.090909060127079e-01 PASS
intel-serial-debug: [intel2023a-serial] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
foss-parallel: [foss2023a-mpi] 2.266259857000000e+01 2.999999999531155e-07 8.264462808625772e-01 PASS
foss-min-parallel: [foss2023b-mpi] 2.266259858000000e+01 3.100000007805193e-07 8.539944925083175e-01 PASS
intel-parallel-debug: [intel2023a-mpi] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
foss-min-parallel: [foss2022a-mpi] 2.266259861000000e+01 3.399999997100167e-07 9.366391176584482e-01 PASS