Match comparison for Dipole x (match type 22769)

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Input 08-benzene_supercell.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.727400000000000e-13 6.610000000000000e-12 6.040790909090908e-16 1.285900107551937e-14 5.920999999999995e-16 2.828250000000000e-14 PASS

Checks for this match

    Zen 4 builders have different values.
  • Precision seems large and value close to zero. Should value be 0?
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: 0.00000000000067274, precision: 0.00000000000661
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 2.544580000000000e-14 -6.472942000000001e-13 -9.792650529500757e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 2.544580000000000e-14 -6.472942000000001e-13 -9.792650529500757e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 2.484260000000000e-14 -6.478974000000000e-13 -9.801776096822995e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] 5.596220000000000e-15 -6.671437800000000e-13 -1.009294674735250e-01 PASS
foss-serial-min: [foss2023b-serial] 5.596220000000000e-15 -6.671437800000000e-13 -1.009294674735250e-01 PASS
foss-serial-min: [foss2022a-serial] 5.596220000000000e-15 -6.671437800000000e-13 -1.009294674735250e-01 PASS
foss-serial-min: [foss2023a-serial] 5.596220000000000e-15 -6.671437800000000e-13 -1.009294674735250e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 5.596220000000000e-15 -6.671437800000000e-13 -1.009294674735250e-01 PASS
foss-serial-full: [foss2023a-serial] 5.596220000000000e-15 -6.671437800000000e-13 -1.009294674735250e-01 PASS
foss-opt-full: [foss2023a-serial] 5.596220000000000e-15 -6.671437800000000e-13 -1.009294674735250e-01 PASS
intel-serial: [intel2023a-serial] 2.348850000000000e-15 -6.703911500000000e-13 -1.014207488653555e-01 PASS
foss-serial-full: [foss2023b-serial] 5.596220000000000e-15 -6.671437800000000e-13 -1.009294674735250e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 2.887460000000000e-14 -6.438654000000000e-13 -9.740777609682300e-02 PASS
foss-ppc: [foss2022a-serial] -9.236919999999999e-15 -6.819769200000000e-13 -1.031735128593041e-01 PASS
foss-serial-debug: [foss2023a-serial] 5.596220000000000e-15 -6.671437800000000e-13 -1.009294674735250e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -1.391900000000000e-14 -6.866590000000001e-13 -1.038818456883510e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -1.391900000000000e-14 -6.866590000000001e-13 -1.038818456883510e-01 PASS
intel-omp: [intel2023a-serial] -8.586490000000000e-15 -6.813264900000000e-13 -1.030751119515885e-01 PASS
intel-omp: [intel2022a-serial] -8.586490000000000e-15 -6.813264900000000e-13 -1.030751119515885e-01 PASS
foss-omp-full: [foss2023a-serial] -3.682100000000000e-15 -6.764221000000001e-13 -1.023331467473525e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -1.391900000000000e-14 -6.866590000000001e-13 -1.038818456883510e-01 PASS
foss-mpi-full: [foss2023a-mpi] -1.391900000000000e-14 -6.866590000000001e-13 -1.038818456883510e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -5.674010000000000e-15 -6.784140100000000e-13 -1.026344947049924e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -5.674010000000000e-15 -6.784140100000000e-13 -1.026344947049924e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 5.925520000000000e-15 -6.668144800000001e-13 -1.008796490166415e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 4.964350000000000e-15 -6.677756500000000e-13 -1.010250605143722e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -1.391900000000000e-14 -6.866590000000001e-13 -1.038818456883510e-01 PASS
foss-mpi-min: [foss2023a-mpi] -5.674010000000000e-15 -6.784140100000000e-13 -1.026344947049924e-01 PASS
foss-mpi-min: [foss2022a-mpi] -5.674010000000000e-15 -6.784140100000000e-13 -1.026344947049924e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -1.249910000000000e-14 -6.852391000000000e-13 -1.036670347957640e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 8.986530000000000e-15 -6.637534700000000e-13 -1.004165612708018e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] 5.307120000000000e-15 -6.674328800000000e-13 -1.009732042360060e-01 PASS
valgrind: [foss2023a-serial] -2.769040000000000e-14 -7.004304000000000e-13 -1.059652647503782e-01 PASS