Match comparison for gga_x_pbek1_vdw Eigenvalue up (match type 12366)

Commits > Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 > Input 03-xc.gga_x_pbek1_vdw.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-9.701085000000000e-01 4.350000000000000e-05 -9.696800625000001e-01 2.591213337144154e-03 -9.627005000000000e-01 7.447499999999996e-03 FAIL

Checks for this match

  • MPI builders have different values.
  • GPU builders have different values.
    • Intel® builders have different values.
    Zen 4 builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: -0.9701085, precision: 0.0000435
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-serial-min: [foss2022a-serial] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-serial-min: [foss2023b-serial] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-serial-min: [foss2023a-serial] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
intel_autotools: [intel2023a-serial] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-serial-full: [foss2023a-serial] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-opt-full: [foss2023a-serial] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-serial-full: [foss2023b-serial] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-ppc: [foss2022a-serial] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
intel_omp_autotools: [intel2023a-serial] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-serial-debug: [foss2023a-serial] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
intel_omp_autotools: [intel2022a-serial] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-omp-full: [foss2023a-serial] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-mpi-full: [foss2023a-mpi] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-mpi-min: [foss2023a-mpi] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-mpi-min: [foss2022a-mpi] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -9.552530000000000e-01 1.485550000000002e-02 3.415057471264373e+02 FAIL
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -9.700690000000000e-01 3.950000000008114e-05 9.080459770133594e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS