Match comparison for Energy [step 20] (match type 12072)
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
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 | -3.184088237668678e+02 | 7.202244530517448e-11 | -3.184088237668220e+02 | 8.893152880773414e-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 |
| spack_foss-2022a_ppc | -3.184088237669055e+02 | -8.429879017057829e-11 | -7.663526379143480e-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 |
| spack_foss-2022a_cuda_mpi_omp | -3.184088237669082e+02 | -8.697043085703626e-11 | -7.906402805185115e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.184088237669083e+02 | -8.702727427589707e-11 | -7.911570388717916e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184088237669060e+02 | -8.475353752146475e-11 | -7.704867047405887e-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 |
| spack_foss-2022a_mpi_min | -3.184088237669090e+02 | -8.776623872108757e-11 | -7.978748974644325e-01 | PASS |
| spack_foss-2022a_mpi | -3.184088237669069e+02 | -8.571987564209849e-11 | -7.792715967463499e-01 | PASS |
| spack_foss-2023a_mpi | -3.184088237669093e+02 | -8.810729923425242e-11 | -8.009754475841130e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.184088237669090e+02 | -8.776623872108757e-11 | -7.978748974644325e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.184088237669096e+02 | -8.833467290969566e-11 | -8.030424809972333e-01 | PASS |
| spack_foss-2023a_serial | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| spack_foss-2023a_serial_min | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.184088237669064e+02 | -8.520828487235121e-11 | -7.746207715668293e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.184088237669027e+02 | -8.151346264639869e-11 | -7.410314786036245e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
| spack_foss-2023b_serial | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.184088237669073e+02 | -8.606093615526333e-11 | -7.823721468660304e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.184088237669032e+02 | -8.196820999728516e-11 | -7.451655454298651e-01 | PASS |
| spack_intel-2023a_serial | -3.184088237668998e+02 | -7.861444828449748e-11 | -7.146768025863408e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.184088237669079e+02 | -8.662937034387141e-11 | -7.875397303988311e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.184088237669043e+02 | -8.310507837450132e-11 | -7.555007124954666e-01 | PASS |
| spack_intel-2023a_impi | -3.184088237668959e+02 | -7.469225238310173e-11 | -6.790204762100158e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.184088237669110e+02 | -8.975575838121586e-11 | -8.159614398292351e-01 | PASS |