Match comparison for Ly [step 100] (match type 29478)
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
Input 24-adsic_freeze_orbitals.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 8.373663656771763e-17 | 1.000000000000000e-04 | 1.786605408696281e-16 | 8.101340519029964e-16 | -1.401563825171717e-16 | 1.731610248061803e-15 | PASS |
Checks for this match
- Precision seems large and value close to zero. Should value be 0?
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Detailed information
Reference: 0.00000000000000008373663656771763, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 9.988950341176024e-17 | 1.615286684404261e-17 | 1.615286684404261e-13 | PASS |
| spack_foss-2022a_serial_min | 1.156978539781214e-15 | 1.073241903213496e-15 | 1.073241903213496e-11 | PASS |
| spack_foss-2023a_serial_min | 1.156978539781214e-15 | 1.073241903213496e-15 | 1.073241903213496e-11 | PASS |
| spack_foss-2023a_serial | 1.156978539781214e-15 | 1.073241903213496e-15 | 1.073241903213496e-11 | PASS |
| spack_foss-2022a_serial | 1.156978539781214e-15 | 1.073241903213496e-15 | 1.073241903213496e-11 | PASS |
| spack_foss-2022a_ppc | 4.966848897329434e-16 | 4.129482531652257e-16 | 4.129482531652257e-12 | PASS |
| cmake_foss_2022a_min_serial | 9.988950341176024e-17 | 1.615286684404261e-17 | 1.615286684404261e-13 | PASS |
| cmake_foss_2022a_min_mpi | -1.335737076502141e-16 | -2.173103442179318e-16 | -2.173103442179318e-12 | PASS |
| spack_foss-2023a_mpi_min | 3.070460552478949e-16 | 2.233094186801772e-16 | 2.233094186801772e-12 | PASS |
| spack_foss-2022a_mpi_min | 3.070460552478949e-16 | 2.233094186801772e-16 | 2.233094186801772e-12 | PASS |
| cmake_foss_2022a_full_mpi | -7.112366251504909e-16 | -7.949732617182086e-16 | -7.949732617182086e-12 | PASS |
| spack_foss-2023a_serial_debug | 1.156978539781214e-15 | 1.073241903213496e-15 | 1.073241903213496e-11 | PASS |
| spack_foss-2023a_mpi_opt | -7.112366251504909e-16 | -7.949732617182086e-16 | -7.949732617182086e-12 | PASS |
| spack_foss-2022a_mpi | 3.070460552478949e-16 | 2.233094186801772e-16 | 2.233094186801772e-12 | PASS |
| spack_foss-2023a_mpi | 3.070460552478949e-16 | 2.233094186801772e-16 | 2.233094186801772e-12 | PASS |
| spack_foss-2022a_cuda_serial | -4.306891486244996e-16 | -5.144257851922172e-16 | -5.144257851922172e-12 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.871766630578975e-15 | -1.955503267146693e-15 | -1.955503267146693e-11 | PASS |
| spack_foss-2023a_mpi_debug | 3.070460552478949e-16 | 2.233094186801772e-16 | 2.233094186801772e-12 | PASS |
| spack_foss-2023a_mpi_omp | 8.101158632811689e-16 | 7.263792267134513e-16 | 7.263792267134513e-12 | PASS |
| spack_foss-2023a_serial_opt | 9.988950341176024e-17 | 1.615286684404261e-17 | 1.615286684404261e-13 | PASS |
| spack_foss-2023b_serial | 1.156978539781214e-15 | 1.073241903213496e-15 | 1.073241903213496e-11 | PASS |
| spack_foss-2023a_serial_omp | 2.992067592691798e-16 | 2.154701227014621e-16 | 2.154701227014621e-12 | PASS |
| spack_intel-2023a_serial | 1.591453865544631e-15 | 1.507717228976914e-15 | 1.507717228976914e-11 | PASS |
| spack_intel-2022a_serial_omp | -8.838107350720387e-16 | -9.675473716397562e-16 | -9.675473716397562e-12 | PASS |
| spack_intel-2023a_serial_omp | -6.981491049614195e-16 | -7.818857415291371e-16 | -7.818857415291370e-12 | PASS |
| spack_intel-2023a_impi | -1.734723475976807e-17 | -1.010838713274857e-16 | -1.010838713274857e-12 | PASS |
| spack_intel-2022a_impi_omp | -9.558326352632207e-16 | -1.039569271830938e-15 | -1.039569271830938e-11 | PASS |
| spack_foss-2023a_valgrind | -5.580938114292578e-16 | -6.418304479969754e-16 | -6.418304479969754e-12 | PASS |