Match comparison for Kinetic energy (match type 30382)

Commits > Commit 3874475d54e6d4931162c1a62f5667add8f8f561 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
9.517203609999999e+00 4.760000000000000e-07 9.517203612692308e+00 1.282892666880817e-07 9.517203720000001e+00 2.199999995511348e-07 PASS

Checks for this match

  • MPI builders have different values.
  • GPU builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: 9.51720361, precision: 0.000000476
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss_min_autotools: [foss2023b-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss_min_autotools: [foss2023a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss_min_autotools: [foss2022a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss_autotools: [foss2023b-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss_opt_autotools: [foss2023a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss_autotools: [foss2023a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss_autotools: [foss2022a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
intel_autotools: [intel2023a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 9.517203719999999e+00 1.100000002196566e-07 2.310924374362534e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 9.517203719999999e+00 1.100000002196566e-07 2.310924374362534e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 9.517203719999999e+00 1.100000002196566e-07 2.310924374362534e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 9.517203739999999e+00 1.300000000981072e-07 2.731092439035865e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 9.517203739999999e+00 1.300000000981072e-07 2.731092439035865e-01 PASS
foss_omp_autotools: [foss2023a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 9.517203739999999e+00 1.300000000981072e-07 2.731092439035865e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 9.517203719999999e+00 1.100000002196566e-07 2.310924374362534e-01 PASS
foss_debug_autotools: [foss2023a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 9.517203719999999e+00 1.100000002196566e-07 2.310924374362534e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 9.517203730000000e+00 1.200000010470603e-07 2.521008425358410e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 9.517203719999999e+00 1.100000002196566e-07 2.310924374362534e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 9.517203719999999e+00 1.100000002196566e-07 2.310924374362534e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 9.517203940000000e+00 3.300000006589698e-07 6.932773123087602e-01 PASS