Match comparison for XC potential (match type 15532)
Commits >
Commit 32ddd3547162625b90bad3fe3e58ca7314bc5873 >
Input 05-ks_inversion.02-two_particle.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.801688430990030e-01 | 2.000000000000000e-02 | -4.821942809160902e-01 | 1.641468353223049e-04 | -4.820349406107825e-01 | 3.492377819545034e-04 | 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: -0.480168843099003, precision: 0.02| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -4.819435967570200e-01 | -1.774753658016992e-03 | -8.873768290084960e-02 | PASS |
| eb_fosscuda-2022a | -4.823841783927370e-01 | -2.215335293734022e-03 | -1.107667646867011e-01 | PASS |
| cmake_foss_2022a_full_serial | -4.822749003352920e-01 | -2.106057236289038e-03 | -1.053028618144519e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.822749003352920e-01 | -2.106057236289038e-03 | -1.053028618144519e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.822749003352920e-01 | -2.106057236289038e-03 | -1.053028618144519e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.822749003352920e-01 | -2.106057236289038e-03 | -1.053028618144519e-01 | PASS |
| eb_foss-2022a | -4.822749003352920e-01 | -2.106057236289038e-03 | -1.053028618144519e-01 | PASS |
| eb_foss-2022a_debug | -4.822749003352920e-01 | -2.106057236289038e-03 | -1.053028618144519e-01 | PASS |
| eb_foss-2022b_libxc6 | -4.822749003352920e-01 | -2.106057236289038e-03 | -1.053028618144519e-01 | PASS |
| foss-2022a_opt | -4.822749003352920e-01 | -2.106057236289038e-03 | -1.053028618144519e-01 | PASS |
| eb_foss-2022a_mpi | -4.822749003352920e-01 | -2.106057236289038e-03 | -1.053028618144519e-01 | PASS |
| foss-2022a_omp | -4.822749003351960e-01 | -2.106057236193004e-03 | -1.053028618096502e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -4.822749003352920e-01 | -2.106057236289038e-03 | -1.053028618144519e-01 | PASS |
| intel-2022a | -4.819960683495530e-01 | -1.827225250550013e-03 | -9.136126252750065e-02 | PASS |
| foss-2022a_mpi_omp | -4.822749003351960e-01 | -2.106057236193004e-03 | -1.053028618096502e-01 | PASS |
| eb_foss-2022a_mpi_debug | -4.822749003352920e-01 | -2.106057236289038e-03 | -1.053028618144519e-01 | PASS |
| intel-2022b | -4.819960683495530e-01 | -1.827225250550013e-03 | -9.136126252750065e-02 | PASS |
| intel-2022a_omp | -4.819960683494070e-01 | -1.827225250404019e-03 | -9.136126252020094e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | -4.823841783926100e-01 | -2.215335293607013e-03 | -1.107667646803506e-01 | PASS |
| spack_foss-2022a_serial | -4.822749003352920e-01 | -2.106057236289038e-03 | -1.053028618144519e-01 | PASS |
| intel-2022a_impi | -4.819960683495530e-01 | -1.827225250550013e-03 | -9.136126252750065e-02 | PASS |
| spack_foss-2022a_serial_min | -4.822749003352920e-01 | -2.106057236289038e-03 | -1.053028618144519e-01 | PASS |
| spack_foss-2022a_serial_omp | -4.822749003351960e-01 | -2.106057236193004e-03 | -1.053028618096502e-01 | PASS |
| spack_foss-2022a_serial_debug | -4.822749003352920e-01 | -2.106057236289038e-03 | -1.053028618144519e-01 | PASS |
| intel-2022a_omp_impi | -4.819960683494070e-01 | -1.827225250404019e-03 | -9.136126252020094e-02 | PASS |
| eb_foss-2022a_valgrind | -4.816857028288280e-01 | -1.516859729825015e-03 | -7.584298649125076e-02 | PASS |