Match comparison for Total energy (match type 30553)

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Input 18-mgga.02-br89_oep.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-6.750524599999999e+00 6.250000000000000e-05 -6.750535859090909e+00 3.396505560439179e-05 -6.750513255000000e+00 5.580500000013089e-05 FAIL

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -6.750524599999999, precision: 0.0000625
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -6.750534610000000e+00 -1.001000000044883e-05 -1.601600000071812e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -6.750534610000000e+00 -1.001000000044883e-05 -1.601600000071812e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -6.750554910000000e+00 -3.031000000053297e-05 -4.849600000085275e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -6.750554580000000e+00 -2.998000000076217e-05 -4.796800000121948e-01 PASS
foss-serial-min: [foss2023b-serial] -6.750554580000000e+00 -2.998000000076217e-05 -4.796800000121948e-01 PASS
foss-serial-min: [foss2022a-serial] -6.750554580000000e+00 -2.998000000076217e-05 -4.796800000121948e-01 PASS
foss-serial-min: [foss2023a-serial] -6.750554580000000e+00 -2.998000000076217e-05 -4.796800000121948e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -6.750554580000000e+00 -2.998000000076217e-05 -4.796800000121948e-01 PASS
foss-serial-full: [foss2023a-serial] -6.750554580000000e+00 -2.998000000076217e-05 -4.796800000121948e-01 PASS
foss-opt-full: [foss2023a-serial] -6.750554580000000e+00 -2.998000000076217e-05 -4.796800000121948e-01 PASS
intel-serial: [intel2023a-serial] -6.750551560000000e+00 -2.696000000046439e-05 -4.313600000074302e-01 PASS
foss-serial-full: [foss2023b-serial] -6.750554580000000e+00 -2.998000000076217e-05 -4.796800000121948e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -6.750554980000000e+00 -3.038000000099572e-05 -4.860800000159315e-01 PASS
foss-ppc: [foss2022a-serial] -6.750544210000000e+00 -1.961000000072488e-05 -3.137600000115981e-01 PASS
foss-serial-debug: [foss2023a-serial] -6.750554580000000e+00 -2.998000000076217e-05 -4.796800000121948e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -6.750457450000000e+00 6.714999999957172e-05 1.074399999993148e+00 FAIL
foss_cmake: [foss2023a-mpi, foss-full-mpi] -6.750457450000000e+00 6.714999999957172e-05 1.074399999993148e+00 FAIL
intel-omp: [intel2023a-serial] -6.750557300000000e+00 -3.270000000021867e-05 -5.232000000034986e-01 PASS
intel-omp: [intel2022a-serial] -6.750557330000000e+00 -3.273000000092452e-05 -5.236800000147923e-01 PASS
foss-omp-full: [foss2023a-serial] -6.750539710000000e+00 -1.511000000053997e-05 -2.417600000086395e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -6.750457450000000e+00 6.714999999957172e-05 1.074399999993148e+00 FAIL
foss-mpi-full: [foss2023a-mpi] -6.750457460000000e+00 6.713999999963249e-05 1.074239999994120e+00 FAIL
foss_cmake: [foss2023a-mpi, foss-min-mpi] -6.750542250000000e+00 -1.765000000020223e-05 -2.824000000032356e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -6.750542250000000e+00 -1.765000000020223e-05 -2.824000000032356e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -6.750541930000000e+00 -1.733000000037066e-05 -2.772800000059306e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -6.750555220000000e+00 -3.062000000042531e-05 -4.899200000068049e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -6.750457460000000e+00 6.713999999963249e-05 1.074239999994120e+00 FAIL
foss-mpi-min: [foss2023a-mpi] -6.750542250000000e+00 -1.765000000020223e-05 -2.824000000032356e-01 PASS
foss-mpi-min: [foss2022a-mpi] -6.750542250000000e+00 -1.765000000020223e-05 -2.824000000032356e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -6.750569060000000e+00 -4.446000000069006e-05 -7.113600000110409e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -6.750536580000000e+00 -1.198000000091071e-05 -1.916800000145713e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] -6.750552630000000e+00 -2.803000000017875e-05 -4.484800000028599e-01 PASS
valgrind: [foss2023a-serial] -6.750551220000000e+00 -2.662000000075437e-05 -4.259200000120700e-01 PASS