Match comparison for Energy [step 10] (match type 24685)
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.470491666118410e+01 | 2.470000000000000e-13 | -2.470491666118398e+01 | 5.241084534683243e-14 | -2.470491666118401e+01 | 8.348877145181177e-14 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -24.7049166611841, precision: 0.000000000000247| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -2.470491666118409e+01 | 1.065814103640150e-14 | 4.315036856842713e-02 | PASS |
| spack_foss-2022a_cuda_serial | -2.470491666118395e+01 | 1.492139745096210e-13 | 6.041051599579799e-01 | PASS |
| spack_foss-2022a_serial | -2.470491666118396e+01 | 1.421085471520200e-13 | 5.753382475790285e-01 | PASS |
| spack_foss-2022a_mpi | -2.470491666118392e+01 | 1.776356839400250e-13 | 7.191728094737856e-01 | PASS |
| spack_foss-2022a_serial_min | -2.470491666118396e+01 | 1.421085471520200e-13 | 5.753382475790285e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.470491666118392e+01 | 1.776356839400250e-13 | 7.191728094737856e-01 | PASS |
| spack_foss-2022a_mpi_opt | -2.470491666118392e+01 | 1.776356839400250e-13 | 7.191728094737856e-01 | PASS |
| spack_foss-2022a_serial_opt | -2.470491666118396e+01 | 1.421085471520200e-13 | 5.753382475790285e-01 | PASS |
| spack_foss-2022a_serial_debug | -2.470491666118396e+01 | 1.421085471520200e-13 | 5.753382475790285e-01 | PASS |
| spack_foss-2023a_serial | -2.470491666118396e+01 | 1.421085471520200e-13 | 5.753382475790285e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.470491666118396e+01 | 1.421085471520200e-13 | 5.753382475790285e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.470491666118395e+01 | 1.527666881884215e-13 | 6.184886161474556e-01 | PASS |
| spack_foss-2022a_mpi_debug | -2.470491666118392e+01 | 1.776356839400250e-13 | 7.191728094737856e-01 | PASS |
| spack_foss-2023a_serial_min | -2.470491666118396e+01 | 1.421085471520200e-13 | 5.753382475790285e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.470491666118407e+01 | 2.842170943040401e-14 | 1.150676495158057e-01 | PASS |
| spack_intel-2023a_serial | -2.470491666118404e+01 | 6.394884621840902e-14 | 2.589022114105628e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.470491666118407e+01 | 2.842170943040401e-14 | 1.150676495158057e-01 | PASS |
| spack_intel-2023a_impi | -2.470491666118401e+01 | 8.881784197001252e-14 | 3.595864047368928e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.470491666118401e+01 | 9.237055564881302e-14 | 3.739698609263685e-01 | PASS |