Match comparison for Born charge diff w=-0.2 (match type 17717)
Commits >
Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.558670000000000e-01 | 7.790000000000000e-06 | -1.558674666666666e-01 | 8.844332774289911e-07 | -1.558670000000000e-01 | 1.000000000001000e-06 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -0.155867, precision: 0.00000779| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| spack_foss-2022a_serial_min | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| spack_foss-2022a_serial | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| foss-2022a_opt | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| intel-2022b | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| intel-2022a | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| foss-2022a_omp | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| spack_foss-2022a_mpi | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| intel-2022a_omp | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| intel-2022a_impi | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| spack_foss-2022a_mpi_omp | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| eb_fosscuda-2022a | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| foss-2022a_mpi_omp | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| eb_foss-2022a | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| intel-2022a_omp_impi | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| eb_foss-2022a_debug | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| eb_foss-2022a_mpi | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| eb_foss-2022a_valgrind | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| intel-2022b_impi | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |