Match comparison for Energy [step 10] (match type 24685)
Commits >
Commit 0043f87fd1086e2efddabd576c31b5184d964264 >
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 | -2.470491666118400e+01 | 4.731520701504014e-14 | -2.470491666118403e+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 | -2.470491666118411e+01 | -1.421085471520200e-14 | -5.753382475790285e-02 | PASS |
| cmake_foss_2022a_full_serial | -2.470491666118398e+01 | 1.172395514004165e-13 | 4.746540542526985e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.470491666118398e+01 | 1.172395514004165e-13 | 4.746540542526985e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.470491666118395e+01 | 1.527666881884215e-13 | 6.184886161474556e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.470491666118396e+01 | 1.421085471520200e-13 | 5.753382475790285e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.470491666118401e+01 | 9.237055564881302e-14 | 3.739698609263685e-01 | PASS |
| spack_foss-2022a_mpi | -2.470491666118395e+01 | 1.527666881884215e-13 | 6.184886161474556e-01 | PASS |
| spack_foss-2022a_serial_min | -2.470491666118398e+01 | 1.172395514004165e-13 | 4.746540542526985e-01 | PASS |
| spack_foss-2022a_serial | -2.470491666118398e+01 | 1.172395514004165e-13 | 4.746540542526985e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.470491666118395e+01 | 1.527666881884215e-13 | 6.184886161474556e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.470491666118395e+01 | 1.527666881884215e-13 | 6.184886161474556e-01 | PASS |
| spack_foss-2023a_mpi | -2.470491666118395e+01 | 1.527666881884215e-13 | 6.184886161474556e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.470491666118398e+01 | 1.243449787580175e-13 | 5.034209666316499e-01 | PASS |
| spack_foss-2023a_serial | -2.470491666118398e+01 | 1.172395514004165e-13 | 4.746540542526985e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.470491666118395e+01 | 1.527666881884215e-13 | 6.184886161474556e-01 | PASS |
| spack_foss-2023a_serial_min | -2.470491666118398e+01 | 1.172395514004165e-13 | 4.746540542526985e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.470491666118398e+01 | 1.172395514004165e-13 | 4.746540542526985e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.470491666118395e+01 | 1.527666881884215e-13 | 6.184886161474556e-01 | PASS |
| spack_intel-2023a_impi | -2.470491666118404e+01 | 6.394884621840902e-14 | 2.589022114105628e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.470491666118398e+01 | 1.172395514004165e-13 | 4.746540542526985e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.470491666118396e+01 | 1.421085471520200e-13 | 5.753382475790285e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.470491666118396e+01 | 1.421085471520200e-13 | 5.753382475790285e-01 | PASS |
| spack_foss-2023b_serial | -2.470491666118398e+01 | 1.172395514004165e-13 | 4.746540542526985e-01 | PASS |
| spack_intel-2023a_serial | -2.470491666118406e+01 | 3.907985046680551e-14 | 1.582180180842328e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.470491666118409e+01 | 1.421085471520200e-14 | 5.753382475790285e-02 | PASS |
| spack_intel-2023a_serial_omp | -2.470491666118409e+01 | 1.421085471520200e-14 | 5.753382475790285e-02 | PASS |
| spack_intel-2022a_impi_omp | -2.470491666118403e+01 | 7.105427357601002e-14 | 2.876691237895143e-01 | PASS |