Match comparison for Kinetic energy (match type 30382)

Commits > Commit 57f8ca8d342504024fed98c8f4356f69f5870627 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
9.517203609999999e+00 4.760000000000000e-07 9.517203600689657e+00 1.258880458453107e-07 9.517203720000001e+00 2.199999995511348e-07 PASS

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: 9.51720361, precision: 0.000000476
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 9.517203719999999e+00 1.100000002196566e-07 2.310924374362534e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 9.517203719999999e+00 1.100000002196566e-07 2.310924374362534e-01 PASS
foss-serial-min: [foss2022a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss-serial-min: [foss2023a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
intel-serial: [intel2023a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss-serial-full: [foss2023a-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-serial-min: [foss2023b-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss-opt-full: [foss2023a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss-serial-full: [foss2023b-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss-ppc: [foss2022a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss-serial-debug: [foss2023a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 9.517203739999999e+00 1.300000000981072e-07 2.731092439035865e-01 PASS
intel-omp: [intel2023a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
intel-omp: [intel2022a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 9.517203739999999e+00 1.300000000981072e-07 2.731092439035865e-01 PASS
foss-omp-full: [foss2023a-serial] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 9.517203739999999e+00 1.300000000981072e-07 2.731092439035865e-01 PASS
foss-mpi-full: [foss2023a-mpi] 9.517203719999999e+00 1.100000002196566e-07 2.310924374362534e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 9.517203719999999e+00 1.100000002196566e-07 2.310924374362534e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 9.517203500000001e+00 -1.099999984432998e-07 -2.310924337044113e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 9.517203719999999e+00 1.100000002196566e-07 2.310924374362534e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 9.517203719999999e+00 1.100000002196566e-07 2.310924374362534e-01 PASS
foss-mpi-min: [foss2022a-mpi] 9.517203719999999e+00 1.100000002196566e-07 2.310924374362534e-01 PASS
foss-mpi-min: [foss2023a-mpi] 9.517203719999999e+00 1.100000002196566e-07 2.310924374362534e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 9.517203940000000e+00 3.300000006589698e-07 6.932773123087602e-01 PASS