Match comparison for Kinetic energy (match type 30865)

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Input 08-loewdin.02-intersite.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.148742590000000e+00 1.570000000000000e-07 3.148529608823529e+00 4.788924020853119e-04 3.148027320000000e+00 7.152699999999346e-04 FAIL

Checks for this match

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

Reference: 3.14874259, precision: 0.000000157
Run Value Difference Relative difference Status
intel-serial: [intel2023a-serial] 3.148742590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial: [foss2023a-serial] 3.148742590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-debug: [foss2023a-serial] 3.148742590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-min-parallel: [intel2022a-mpi] 3.148742590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
ppc: [foss2023a-serial] 3.148742590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
autotools_foss_mpi_omp: [foss2023a-mpi] 3.148742590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-parallel-debug: [foss2023a-mpi] 3.148742590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-parallel: [intel2023a-mpi] 3.148742590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-parallel: [foss2023a-mpi] 3.148742590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-min-parallel: [foss2023b-mpi] 3.148742590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
autotools_intel_mpi_omp: [intel2023a-mpi] 3.148742590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
address-sanitizer: [foss2023a-serial, ci-foss-full] 3.148742590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-min-parallel: [foss2022a-mpi] 3.147982990000000e+00 -7.595999999998604e-04 -4.838216560508665e+03 FAIL
intel-serial-debug: [intel2023a-serial] 3.148742590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-parallel-debug: [intel2023a-mpi] 3.148742590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] 3.147312050000000e+00 -1.430539999999869e-03 -9.111719745222097e+03 FAIL
cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] 3.147312050000000e+00 -1.430539999999869e-03 -9.111719745222097e+03 FAIL