Match comparison for gga_x_pbek1_vdw Eigenvalue up (match type 12366)

Commits > Commit 17b096911440bfe83ad69af07734b73ecc024f80 > 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 -9.701421481481483e-01 2.068942063473093e-05 -9.701085000000000e-01 3.950000000002563e-05 PASS

Checks for this match

  • GPU builders have different values.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -0.9701085, precision: 0.0000435
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_foss-2023a_serial_min -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_foss-2023a_serial_opt -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_foss-2023a_serial -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_foss-2023b_serial -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_foss-2022a_ppc -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_foss-2023a_mpi_min -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_foss-2023a_serial_debug -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_intel-2022a_serial_omp -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_foss-2023a_serial_omp -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_foss-2023a_mpi_opt -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
cmake_foss_2022a_full_mpi -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_foss-2023a_mpi -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_intel-2023a_impi -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_foss-2023a_mpi_debug -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_foss-2022a_cuda_mpi_omp -9.700690000000000e-01 3.950000000008114e-05 9.080459770133594e-01 PASS
spack_foss-2023a_mpi_omp -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
cmake_foss_2022a_min_serial -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
cmake_foss_2022a_full_serial -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
cmake_foss_2022a_min_mpi -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_foss-2022a_serial -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_foss-2022a_mpi_min -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_intel-2022a_impi_omp -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_intel-2023a_serial -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_foss-2022a_mpi -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_intel-2023a_serial_omp -9.701480000000000e-01 -3.949999999997011e-05 -9.080459770108072e-01 PASS
spack_foss-2022a_cuda_serial -9.700690000000000e-01 3.950000000008114e-05 9.080459770133594e-01 PASS