Match comparison for Energy [step 100] (match type 25454)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.239415689417314e+02 | 7.420000000000000e-09 | -1.239415689446803e+02 | 1.045282762483691e-09 | -1.239415689441371e+02 | 1.459873999465344e-09 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -123.9415689417314, precision: 0.00000000742| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.239415689454025e+02 | -3.671132731142279e-09 | -4.947618236040808e-01 | PASS |
| spack_foss-2022a_serial_min | -1.239415689454025e+02 | -3.671132731142279e-09 | -4.947618236040808e-01 | PASS |
| foss-2022a_ppc | -1.239415689429860e+02 | -1.254548465112748e-09 | -1.690766125488879e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.239415689454025e+02 | -3.671132731142279e-09 | -4.947618236040808e-01 | PASS |
| spack_foss-2022a_serial | -1.239415689454025e+02 | -3.671132731142279e-09 | -4.947618236040808e-01 | PASS |
| foss-2022a_opt | -1.239415689453699e+02 | -3.638518819570891e-09 | -4.903664177319260e-01 | PASS |
| intel-2022b | -1.239415689435358e+02 | -1.804409066608059e-09 | -2.431818149067465e-01 | PASS |
| intel-2022a | -1.239415689435358e+02 | -1.804409066608059e-09 | -2.431818149067465e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.239415689454137e+02 | -3.682316673803143e-09 | -4.962690935044667e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.239415689454088e+02 | -3.677428139781114e-09 | -4.956102614260262e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.239415689454025e+02 | -3.671132731142279e-09 | -4.947618236040808e-01 | PASS |
| foss-2022a_omp | -1.239415689454092e+02 | -3.677840254567855e-09 | -4.956658025024063e-01 | PASS |
| intel-2022a_omp | -1.239415689431006e+02 | -1.369230062664428e-09 | -1.845323534588178e-01 | PASS |
| intel-2022b_impi | -1.239415689435265e+02 | -1.795072535060172e-09 | -2.419235222453061e-01 | PASS |
| intel-2022a_impi | -1.239415689435265e+02 | -1.795072535060172e-09 | -2.419235222453061e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.239415689426834e+02 | -9.519851573713822e-10 | -1.282998864381917e-01 | PASS |
| eb_fosscuda-2022a | -1.239415689426773e+02 | -9.458744898438454e-10 | -1.274763463401409e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.239415689454025e+02 | -3.671132731142279e-09 | -4.947618236040808e-01 | PASS |
| foss-2022a_mpi_omp | -1.239415689454071e+02 | -3.675694415505859e-09 | -4.953766058633233e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.239415689453870e+02 | -3.655642899502709e-09 | -4.926742452159986e-01 | PASS |
| eb_foss-2022a | -1.239415689453699e+02 | -3.638518819570891e-09 | -4.903664177319260e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.239415689455970e+02 | -3.865622488774534e-09 | -5.209733812364601e-01 | PASS |
| eb_foss-2022a_debug | -1.239415689453699e+02 | -3.638518819570891e-09 | -4.903664177319260e-01 | PASS |
| intel-2022a_omp_impi | -1.239415689435133e+02 | -1.781884861884464e-09 | -2.401462078011407e-01 | PASS |
| eb_foss-2022a_mpi | -1.239415689454010e+02 | -3.669583747978322e-09 | -4.945530657652726e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.239415689453338e+02 | -3.602409037739562e-09 | -4.854998703153049e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.239415689454010e+02 | -3.669583747978322e-09 | -4.945530657652726e-01 | PASS |