Match comparison for gga_xc_mpwlyp1w Int[n*v_xc] (match type 12417)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.268828900000000e-01 | 5.210000000000000e-06 | -4.268876188000000e-01 | 9.927738939122173e-09 | -4.268876200000000e-01 | 1.000000002249202e-08 | PASS |
Checks for this match
- MPI builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.42688289, precision: 0.00000521| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_mpi_debug | -4.268876300000000e-01 | -4.740000000003075e-06 | -9.097888675629703e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.268876300000000e-01 | -4.740000000003075e-06 | -9.097888675629703e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.268876100000000e-01 | -4.719999999958091e-06 | -9.059500959612459e-01 | PASS |
| cmake_foss_2022a_full_serial | -4.268876100000000e-01 | -4.719999999958091e-06 | -9.059500959612459e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.268876300000000e-01 | -4.740000000003075e-06 | -9.097888675629703e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.268876300000000e-01 | -4.740000000003075e-06 | -9.097888675629703e-01 | PASS |
| spack_intel-2023a_serial | -4.268876100000000e-01 | -4.719999999958091e-06 | -9.059500959612459e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.268876300000000e-01 | -4.740000000003075e-06 | -9.097888675629703e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.268876100000000e-01 | -4.719999999958091e-06 | -9.059500959612459e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.268876100000000e-01 | -4.719999999958091e-06 | -9.059500959612459e-01 | PASS |
| spack_intel-2023a_impi | -4.268876300000000e-01 | -4.740000000003075e-06 | -9.097888675629703e-01 | PASS |
| spack_foss-2022a_serial_min | -4.268876100000000e-01 | -4.719999999958091e-06 | -9.059500959612459e-01 | PASS |
| spack_foss-2023a_serial_min | -4.268876100000000e-01 | -4.719999999958091e-06 | -9.059500959612459e-01 | PASS |
| spack_foss-2022a_serial | -4.268876100000000e-01 | -4.719999999958091e-06 | -9.059500959612459e-01 | PASS |
| spack_foss-2023a_serial | -4.268876100000000e-01 | -4.719999999958091e-06 | -9.059500959612459e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.268876100000000e-01 | -4.719999999958091e-06 | -9.059500959612459e-01 | PASS |
| spack_foss-2023b_serial | -4.268876100000000e-01 | -4.719999999958091e-06 | -9.059500959612459e-01 | PASS |
| spack_foss-2022a_ppc | -4.268876100000000e-01 | -4.719999999958091e-06 | -9.059500959612459e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.268876300000000e-01 | -4.740000000003075e-06 | -9.097888675629703e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.268876300000000e-01 | -4.740000000003075e-06 | -9.097888675629703e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.268876100000000e-01 | -4.719999999958091e-06 | -9.059500959612459e-01 | PASS |
| spack_foss-2023a_serial_debug | -4.268876100000000e-01 | -4.719999999958091e-06 | -9.059500959612459e-01 | PASS |
| spack_foss-2023a_mpi_opt | -4.268876300000000e-01 | -4.740000000003075e-06 | -9.097888675629703e-01 | PASS |
| spack_foss-2022a_mpi | -4.268876300000000e-01 | -4.740000000003075e-06 | -9.097888675629703e-01 | PASS |
| spack_foss-2023a_mpi | -4.268876300000000e-01 | -4.740000000003075e-06 | -9.097888675629703e-01 | PASS |