Match comparison for Ly [step 100] (match type 29478)
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
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 | 1.541377727643193e-16 | 8.958080835909234e-16 | -1.392890207791833e-16 | 1.730742886323815e-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 |
| spack_foss-2022a_ppc | 4.966848897329434e-16 | 4.129482531652257e-16 | 4.129482531652257e-12 | PASS |
| spack_foss-2022a_cuda_serial | -4.160083735826881e-16 | -4.997450101504057e-16 | -4.997450101504057e-12 | PASS |
| spack_foss-2022a_serial | 1.156978539781214e-15 | 1.073241903213496e-15 | 1.073241903213496e-11 | PASS |
| spack_foss-2022a_mpi | 3.070460552478949e-16 | 2.233094186801772e-16 | 2.233094186801772e-12 | PASS |
| spack_foss-2022a_serial_min | 1.156978539781214e-15 | 1.073241903213496e-15 | 1.073241903213496e-11 | PASS |
| spack_foss-2022a_mpi_min | 3.070460552478949e-16 | 2.233094186801772e-16 | 2.233094186801772e-12 | PASS |
| spack_foss-2022a_mpi_opt | -7.112366251504909e-16 | -7.949732617182086e-16 | -7.949732617182086e-12 | PASS |
| spack_foss-2022a_serial_opt | 9.988950341176024e-17 | 1.615286684404261e-17 | 1.615286684404261e-13 | PASS |
| spack_foss-2022a_serial_debug | 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_cuda_mpi_omp | -1.870031907102998e-15 | -1.953768543670716e-15 | -1.953768543670716e-11 | PASS |
| spack_foss-2023a_serial_omp | 2.992067592691798e-16 | 2.154701227014621e-16 | 2.154701227014621e-12 | PASS |
| spack_foss-2022a_mpi_debug | 3.070460552478949e-16 | 2.233094186801772e-16 | 2.233094186801772e-12 | PASS |
| spack_foss-2023a_serial_min | 1.156978539781214e-15 | 1.073241903213496e-15 | 1.073241903213496e-11 | PASS |
| spack_intel-2022a_serial_omp | -8.838107350720387e-16 | -9.675473716397562e-16 | -9.675473716397562e-12 | PASS |
| spack_intel-2023a_serial | 1.591453865544631e-15 | 1.507717228976914e-15 | 1.507717228976914e-11 | 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-2022a_valgrind | -5.580938114292578e-16 | -6.418304479969754e-16 | -6.418304479969754e-12 | PASS |