Match comparison for Energy [step 10] (match type 24685)
Commits >
Commit 37e237ddc5fb12f3241bf77b2f48251725ccbfb8 >
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 | 4.783109337474097e-14 | -2.470491666118399e+01 | 7.815970093361102e-14 | PASS |
Checks for this match
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Detailed information
Reference: -24.7049166611841, precision: 0.000000000000247| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -2.470491666118401e+01 | 9.237055564881302e-14 | 3.739698609263685e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.470491666118396e+01 | 1.421085471520200e-13 | 5.753382475790285e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.470491666118396e+01 | 1.421085471520200e-13 | 5.753382475790285e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.470491666118393e+01 | 1.669775429036235e-13 | 6.760224409053585e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.470491666118392e+01 | 1.776356839400250e-13 | 7.191728094737856e-01 | PASS |
| eb_foss-2022a | -2.470491666118392e+01 | 1.776356839400250e-13 | 7.191728094737856e-01 | PASS |
| eb_foss-2022a_debug | -2.470491666118392e+01 | 1.776356839400250e-13 | 7.191728094737856e-01 | PASS |
| eb_foss-2022b_libxc6 | -2.470491666118392e+01 | 1.776356839400250e-13 | 7.191728094737856e-01 | PASS |
| eb_foss-2022a_mpi | -2.470491666118395e+01 | 1.527666881884215e-13 | 6.184886161474556e-01 | PASS |
| foss-2022a_opt | -2.470491666118392e+01 | 1.776356839400250e-13 | 7.191728094737856e-01 | PASS |
| intel-2022a | -2.470491666118407e+01 | 2.842170943040401e-14 | 1.150676495158057e-01 | PASS |
| foss-2022a_omp | -2.470491666118394e+01 | 1.598721155460225e-13 | 6.472555285264070e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.470491666118395e+01 | 1.527666881884215e-13 | 6.184886161474556e-01 | PASS |
| intel-2022b | -2.470491666118407e+01 | 2.842170943040401e-14 | 1.150676495158057e-01 | PASS |
| spack_foss-2022a_serial | -2.470491666118396e+01 | 1.421085471520200e-13 | 5.753382475790285e-01 | PASS |
| eb_foss-2022a_mpi_debug | -2.470491666118395e+01 | 1.527666881884215e-13 | 6.184886161474556e-01 | PASS |
| intel-2022a_omp | -2.470491666118407e+01 | 2.842170943040401e-14 | 1.150676495158057e-01 | PASS |
| intel-2022a_impi | -2.470491666118403e+01 | 7.460698725481052e-14 | 3.020525799789899e-01 | PASS |
| intel-2022b_impi | -2.470491666118403e+01 | 7.460698725481052e-14 | 3.020525799789899e-01 | PASS |
| eb_fosscuda-2022a | -2.470491666118395e+01 | 1.527666881884215e-13 | 6.184886161474556e-01 | PASS |
| spack_foss-2022a_serial_debug | -2.470491666118396e+01 | 1.421085471520200e-13 | 5.753382475790285e-01 | PASS |
| foss-2022a_mpi_omp | -2.470491666118392e+01 | 1.847411112976260e-13 | 7.479397218527370e-01 | PASS |
| spack_foss-2022a_serial_min | -2.470491666118396e+01 | 1.421085471520200e-13 | 5.753382475790285e-01 | PASS |
| spack_foss-2022a_serial_opt | -2.470491666118396e+01 | 1.421085471520200e-13 | 5.753382475790285e-01 | PASS |
| spack_foss-2022a_serial_omp | -2.470491666118395e+01 | 1.527666881884215e-13 | 6.184886161474556e-01 | PASS |
| intel-2022a_omp_impi | -2.470491666118401e+01 | 9.237055564881302e-14 | 3.739698609263685e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -2.470491666118399e+01 | 1.065814103640150e-13 | 4.315036856842713e-01 | PASS |