Match comparison for Exchange energy (match type 3274)
Commits >
Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 >
Input 10-helium_upf.03-gs_filter_bsb.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -9.745580300000000e-01 | 5.000000000000000e-06 | -9.745587399999999e-01 | 1.110223024625157e-16 | -9.745587400000000e-01 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -0.97455803, precision: 0.000005| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2023a_serial_min | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2023a_serial_opt | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2022a_serial | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2023a_serial | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2023b_serial | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2022a_ppc | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2023a_mpi_min | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2022a_mpi_min | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2022a_cuda_serial | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2023a_serial_omp | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2023a_serial_debug | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2023a_mpi_opt | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2023a_mpi | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2022a_mpi | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2023a_mpi_debug | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2023a_mpi_omp | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| cmake_foss_2022a_full_serial | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| cmake_foss_2022a_min_serial | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| cmake_foss_2022a_min_mpi | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| cmake_foss_2022a_full_mpi | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_intel-2023a_serial | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_intel-2022a_serial_omp | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_intel-2022a_impi_omp | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_intel-2023a_serial_omp | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_intel-2023a_impi | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |
| spack_foss-2023a_valgrind | -9.745587400000000e-01 | -7.100000000148654e-07 | -1.420000000029731e-01 | PASS |