Match comparison for N_electrons [step 1112] (match type 24581)
Commits >
Commit cbc1abc06e6e7cc5a3148786399a656e257098a6 >
Input 04-lithium.02-absorbing_boundaries.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.353010052117660e+00 | 3.500000000000000e-07 | 2.249322701487453e+00 | 4.447463915955558e-01 | 1.176505108911666e+00 | 1.176505108911666e+00 | FAIL |
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: 2.35301005211766, precision: 0.00000035| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 2.353010217823333e+00 | 1.657056731829698e-07 | 4.734447805227709e-01 | PASS |
| cmake_foss_2022a_full_serial | 2.353009917447201e+00 | -1.346704583404801e-07 | -3.847727381156574e-01 | PASS |
| cmake_foss_2022a_min_serial | 2.353009917447201e+00 | -1.346704583404801e-07 | -3.847727381156574e-01 | PASS |
| cmake_foss_2022a_min_mpi | 2.353009917447201e+00 | -1.346704583404801e-07 | -3.847727381156574e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.353009917447201e+00 | -1.346704583404801e-07 | -3.847727381156574e-01 | PASS |
| spack_foss-2022a_serial | 2.353009917447201e+00 | -1.346704583404801e-07 | -3.847727381156574e-01 | PASS |
| spack_foss-2022a_serial_min | 2.353009917447201e+00 | -1.346704583404801e-07 | -3.847727381156574e-01 | PASS |
| spack_foss-2022a_mpi_min | 2.353009917447201e+00 | -1.346704583404801e-07 | -3.847727381156574e-01 | PASS |
| spack_foss-2022a_mpi | 2.353009917447201e+00 | -1.346704583404801e-07 | -3.847727381156574e-01 | PASS |
| spack_foss-2023a_mpi_min | 2.353009917447201e+00 | -1.346704583404801e-07 | -3.847727381156574e-01 | PASS |
| spack_foss-2023a_mpi | 2.353009917447201e+00 | -1.346704583404801e-07 | -3.847727381156574e-01 | PASS |
| spack_foss-2023a_serial | 2.353009917447201e+00 | -1.346704583404801e-07 | -3.847727381156574e-01 | PASS |
| spack_foss-2023a_mpi_debug | 2.353009917447201e+00 | -1.346704583404801e-07 | -3.847727381156574e-01 | PASS |
| spack_foss-2023a_serial_min | 2.353009917447201e+00 | -1.346704583404801e-07 | -3.847727381156574e-01 | PASS |
| spack_foss-2023a_mpi_opt | 2.353009917447201e+00 | -1.346704583404801e-07 | -3.847727381156574e-01 | PASS |
| spack_foss-2023a_serial_opt | 2.353009917447201e+00 | -1.346704583404801e-07 | -3.847727381156574e-01 | PASS |
| spack_foss-2023b_serial | 2.353009917447201e+00 | -1.346704583404801e-07 | -3.847727381156574e-01 | PASS |
| spack_foss-2023a_serial_debug | 2.353009917447201e+00 | -1.346704583404801e-07 | -3.847727381156574e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.802777881905829e+00 | -5.502321702118307e-01 | -1.572091914890945e+06 | FAIL |
| spack_foss-2023a_serial_omp | 2.353009854434333e+00 | -1.976833265970868e-07 | -5.648095045631051e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 0.000000000000000e+00 | -2.353010052117660e+00 | -6.722885863193314e+06 | FAIL |
| spack_foss-2023a_mpi_omp | 2.353009854434333e+00 | -1.976833265970868e-07 | -5.648095045631051e-01 | PASS |
| spack_intel-2022a_serial_omp | 2.353009886182176e+00 | -1.659354835759075e-07 | -4.741013816454500e-01 | PASS |
| spack_intel-2023a_serial | 2.353009817044176e+00 | -2.350734833456158e-07 | -6.716385238446168e-01 | PASS |
| spack_intel-2023a_serial_omp | 2.353010006622140e+00 | -4.549552024002423e-08 | -1.299872006857835e-01 | PASS |
| spack_intel-2023a_impi | 2.353009817044176e+00 | -2.350734833456158e-07 | -6.716385238446168e-01 | PASS |
| spack_intel-2022a_impi_omp | 2.353009886182176e+00 | -1.659354835759075e-07 | -4.741013816454500e-01 | PASS |
| spack_foss-2023a_valgrind | 2.353009823373599e+00 | -2.287440605819313e-07 | -6.535544588055181e-01 | PASS |