Match comparison for Energy [step 20] (match type 12072)
Commits >
Commit e20977157e4d251b72bb22e6c23e92a645445263 >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.184088237668212e+02 | 1.100000000000000e-10 | -3.184088237668856e+02 | 5.508661762194387e-11 | -3.184088237668211e+02 | 8.793676897767000e-11 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -318.40882376682123, precision: 0.00000000011| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
| foss-2022a_ppc | -3.184088237669082e+02 | -8.697043085703626e-11 | -7.906402805185115e-01 | PASS |
| spack_foss-2022a_serial_min | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| spack_foss-2022a_serial | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| foss-2022a_opt | -3.184088237669023e+02 | -8.105871529551223e-11 | -7.368974117773839e-01 | PASS |
| intel-2022b | -3.184088237669037e+02 | -8.242295734817162e-11 | -7.492996122561056e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.184088237669074e+02 | -8.617462299298495e-11 | -7.834056635725904e-01 | PASS |
| intel-2022a | -3.184088237669037e+02 | -8.242295734817162e-11 | -7.492996122561056e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184088237669047e+02 | -8.350298230652697e-11 | -7.591180209684271e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.184088237669064e+02 | -8.515144145349041e-11 | -7.741040132135492e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| foss-2022a_omp | -3.184088237669043e+02 | -8.304823495564051e-11 | -7.549839541421864e-01 | PASS |
| intel-2022a_omp | -3.184088237669050e+02 | -8.373035598197021e-11 | -7.611850543815474e-01 | PASS |
| intel-2022b_impi | -3.184088237669085e+02 | -8.725464795134030e-11 | -7.932240722849119e-01 | PASS |
| intel-2022a_impi | -3.184088237669074e+02 | -8.617462299298495e-11 | -7.834056635725904e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.184088237669041e+02 | -8.287770469905809e-11 | -7.534336790823463e-01 | PASS |
| eb_fosscuda-2022a | -3.184088237669058e+02 | -8.458300726488233e-11 | -7.689364296807485e-01 | PASS |
| foss-2022a_mpi_omp | -3.184088237669090e+02 | -8.776623872108757e-11 | -7.978748974644325e-01 | PASS |
| eb_foss-2022a | -3.184088237669017e+02 | -8.049028110690415e-11 | -7.317298282445832e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.184088237669022e+02 | -8.100187187665142e-11 | -7.363806534241039e-01 | PASS |
| eb_foss-2022a_debug | -3.184088237669017e+02 | -8.049028110690415e-11 | -7.317298282445832e-01 | PASS |
| intel-2022a_omp_impi | -3.184088237669047e+02 | -8.344613888766617e-11 | -7.586012626151470e-01 | PASS |
| eb_foss-2022a_mpi | -3.184088237669060e+02 | -8.475353752146475e-11 | -7.704867047405887e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.184088237669073e+02 | -8.606093615526333e-11 | -7.823721468660304e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.184088237669075e+02 | -8.628830983070657e-11 | -7.844391802791506e-01 | PASS |