Match comparison for Bader value 2 (match type 22568)
Commits >
Commit 6816b153d33f61198d1ef96fd0f4ab733dba1073 >
Input 08-symmetrization_mgga.01-spg3_sym.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.938005341481400e-02 | 7.620000000000000e-13 | -5.938005341549659e-02 | 8.328560428086154e-15 | -5.938005341549285e-02 | 1.505046087757478e-14 | 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: -0.059380053414814005, precision: 0.000000000000762| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -5.938005341549950e-02 | -6.854933287669951e-13 | -8.995975443136419e-01 | PASS |
| spack_foss-2022a_serial | -5.938005341550300e-02 | -6.889974701884682e-13 | -9.041961551029767e-01 | PASS |
| foss-2022a_opt | -5.938005341549870e-02 | -6.846953559680458e-13 | -8.985503359160706e-01 | PASS |
| spack_foss-2022a_serial_min | -5.938005341550300e-02 | -6.889974701884682e-13 | -9.041961551029767e-01 | PASS |
| eb_foss-2022a | -5.938005341549870e-02 | -6.846953559680458e-13 | -8.985503359160706e-01 | PASS |
| foss-2022a_omp | -5.938005341550010e-02 | -6.860970125366350e-13 | -9.003897802318045e-01 | PASS |
| spack_foss-2022a_serial_debug | -5.938005341550300e-02 | -6.889974701884682e-13 | -9.041961551029767e-01 | PASS |
| eb_foss-2022b_libxc6 | -5.938005341550000e-02 | -6.859929291280764e-13 | -9.002531878321213e-01 | PASS |
| eb_fosscuda-2022a | -5.938005341547780e-02 | -6.637954075294772e-13 | -8.711225820596814e-01 | PASS |
| spack_foss-2022a_serial_omp | -5.938005341550010e-02 | -6.860970125366350e-13 | -9.003897802318045e-01 | PASS |
| eb_foss-2022a_debug | -5.938005341549870e-02 | -6.846953559680458e-13 | -8.985503359160706e-01 | PASS |
| spack_foss-2022a_serial_opt | -5.938005341550300e-02 | -6.889974701884682e-13 | -9.041961551029767e-01 | PASS |
| eb_foss-2022a_mpi | -5.938005341548670e-02 | -6.726980084081902e-13 | -8.828057853125856e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -5.938005341550790e-02 | -6.938963292846267e-13 | -9.106251040480666e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -5.938005341547990e-02 | -6.658978923823611e-13 | -8.738817485332823e-01 | PASS |
| eb_foss-2022a_mpi_debug | -5.938005341548670e-02 | -6.726980084081902e-13 | -8.828057853125856e-01 | PASS |
| foss-2022a_mpi_omp | -5.938005341549530e-02 | -6.812952979551312e-13 | -8.940883175264189e-01 | PASS |