Match comparison for Born charge diff w=-0.2 (match type 17717)
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
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 | -1.558670370370371e-01 | 9.993138935737431e-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 |
| spack_foss-2022a_ppc | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| cmake_foss_2022a_min_serial | -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_mpi | -1.558660000000000e-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_min | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| spack_foss-2022a_mpi | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| spack_foss-2022a_serial | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.558660000000000e-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_cuda_serial | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| spack_foss-2023a_mpi | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| spack_foss-2023a_serial | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| spack_foss-2023a_serial_min | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| spack_foss-2023b_serial | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| spack_intel-2023a_serial | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| spack_foss-2023a_valgrind | -1.558660000000000e-01 | 1.000000000001000e-06 | 1.283697047498075e-01 | PASS |
| spack_intel-2023a_impi | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.558680000000000e-01 | -1.000000000001000e-06 | -1.283697047498075e-01 | PASS |