Match comparison for nuclei-solvent int. energy (match type 25161)
Commits >
Commit 0043f87fd1086e2efddabd576c31b5184d964264 >
Input 20-pcm-local-field-absorption.01-gs.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.110000000000000e-05 | 1.560000000000000e-06 | -3.118074074074074e-05 | 6.809176411426037e-08 | -3.107000000000000e-05 | 1.300000000000004e-07 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.000031100000000000004, precision: 0.00000156| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| cmake_foss_2022a_full_serial | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.094000000000000e-05 | 1.600000000000052e-07 | 1.025641025641059e-01 | PASS |
| spack_foss-2022a_mpi | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_foss-2022a_serial_min | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_foss-2022a_serial | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_foss-2022a_mpi_min | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_foss-2023a_mpi_min | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_foss-2023a_mpi | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_foss-2022a_cuda_serial | -3.094000000000000e-05 | 1.600000000000052e-07 | 1.025641025641059e-01 | PASS |
| spack_foss-2023a_serial | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_foss-2023a_mpi_opt | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_foss-2023a_serial_min | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_foss-2023a_serial_opt | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_intel-2023a_impi | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_foss-2023a_serial_debug | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_foss-2023a_serial_omp | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_foss-2023a_mpi_omp | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_foss-2023b_serial | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_intel-2023a_serial | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_intel-2022a_serial_omp | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_intel-2023a_serial_omp | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| spack_intel-2022a_impi_omp | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |