Match comparison for External energy (match type 3524)

Commits > Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 > Input 15-calcium_psp8_sic.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.247058490000000e+00 3.000000000000000e-07 -1.247058369259259e+00 2.618913988478251e-09 -1.247058365000000e+00 4.999999969612645e-09 PASS

Checks for this match

  • GPU builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -1.24705849, precision: 0.0000003
Run Value Difference Relative difference Status
foss-2022a_ppc -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
cmake_foss_2022a_full_serial -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
spack_foss-2022a_serial -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
foss-2022a_opt -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
intel-2022b -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
intel-2022a -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
cmake_foss_2022a_min_mpi -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
spack_foss-2022a_serial_debug -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
cmake_foss_2022a_full_mpi -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
foss-2022a_omp -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
eb_fosscuda-2022a -1.247058360000000e+00 1.299999998760626e-07 4.333333329202086e-01 PASS
cmake_foss_2022a_min_serial -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
intel-2022a_omp -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
intel-2022b_impi -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
intel-2022a_impi -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
foss-2022a_mpi_omp -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
eb_foss-2022a -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
spack_foss-2022a_serial_min -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
eb_foss-2022b_libxc6 -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
eb_fosscuda-2022a_mpi_omp -1.247058360000000e+00 1.299999998760626e-07 4.333333329202086e-01 PASS
eb_foss-2022a_debug -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
spack_foss-2022a_serial_omp -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
intel-2022a_omp_impi -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
eb_foss-2022a_mpi -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
eb_foss-2022b_libxc6_mpi -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
eb_foss-2022a_mpi_debug -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS
eb_foss-2022a_valgrind -1.247058370000000e+00 1.199999999368373e-07 3.999999997894577e-01 PASS