Match comparison for Energy [step 20] (match type 12072)
Commits >
Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 >
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 | -3.184088237668853e+02 | 5.503427476546164e-11 | -3.184088237668213e+02 | 8.822098607197404e-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 |
| foss-2022a_ppc | -3.184088237669082e+02 | -8.697043085703626e-11 | -7.906402805185115e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184088237669067e+02 | -8.549250196665525e-11 | -7.772045633332296e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.184088237669093e+02 | -8.810729923425242e-11 | -8.009754475841130e-01 | PASS |
| eb_foss-2022a | -3.184088237669017e+02 | -8.049028110690415e-11 | -7.317298282445832e-01 | PASS |
| eb_foss-2022a_debug | -3.184088237669017e+02 | -8.049028110690415e-11 | -7.317298282445832e-01 | PASS |
| eb_fosscuda-2022a | -3.184088237669058e+02 | -8.458300726488233e-11 | -7.689364296807485e-01 | PASS |
| eb_foss-2022a_mpi | -3.184088237669064e+02 | -8.515144145349041e-11 | -7.741040132135492e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.184088237669022e+02 | -8.100187187665142e-11 | -7.363806534241039e-01 | PASS |
| foss-2022a_opt | -3.184088237669023e+02 | -8.105871529551223e-11 | -7.368974117773839e-01 | PASS |
| foss-2022a_omp | -3.184088237669043e+02 | -8.304823495564051e-11 | -7.549839541421864e-01 | PASS |
| intel-2022a | -3.184088237669037e+02 | -8.242295734817162e-11 | -7.492996122561056e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.184088237669082e+02 | -8.697043085703626e-11 | -7.906402805185115e-01 | PASS |
| intel-2022b | -3.184088237669037e+02 | -8.242295734817162e-11 | -7.492996122561056e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.184088237669027e+02 | -8.151346264639869e-11 | -7.410314786036245e-01 | PASS |
| spack_foss-2022a_serial | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| intel-2022a_omp | -3.184088237669050e+02 | -8.373035598197021e-11 | -7.611850543815474e-01 | PASS |
| spack_foss-2022a_serial_min | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.184088237669096e+02 | -8.833467290969566e-11 | -8.030424809972333e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| intel-2022a_impi | -3.184088237669087e+02 | -8.742517820792273e-11 | -7.947743473447521e-01 | PASS |
| intel-2022b_impi | -3.184088237668943e+02 | -7.304379323613830e-11 | -6.640344839648936e-01 | PASS |
| foss-2022a_mpi_omp | -3.184088237669048e+02 | -8.355982572538778e-11 | -7.596347793217071e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.184088237669064e+02 | -8.515144145349041e-11 | -7.741040132135492e-01 | PASS |
| intel-2022a_omp_impi | -3.184088237669084e+02 | -8.714096111361869e-11 | -7.921905555783517e-01 | PASS |