Match comparison for Benzene Energy [step 20] (match type 24558)
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744343182885780e+01 | 3.000000000000000e-03 | -3.744340809476210e+01 | 7.122236119745803e-14 | -3.744340809476216e+01 | 1.065814103640150e-13 | PASS |
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Detailed information
Reference: -37.4434318288578, precision: 0.003| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -3.744340809476215e+01 | 2.373409564881968e-05 | 7.911365216273225e-03 | PASS |
| spack_foss-2022a_cuda_serial | -3.744340809476206e+01 | 2.373409573408480e-05 | 7.911365244694935e-03 | PASS |
| spack_foss-2022a_serial | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| spack_foss-2022a_mpi | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| spack_foss-2022a_serial_min | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| spack_foss-2022a_mpi_min | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| spack_foss-2022a_mpi_opt | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| spack_foss-2022a_serial_opt | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| spack_foss-2022a_serial_debug | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| spack_foss-2023a_serial | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744340809476208e+01 | 2.373409571276852e-05 | 7.911365237589507e-03 | PASS |
| spack_foss-2023a_serial_omp | -3.744340809476212e+01 | 2.373409567724138e-05 | 7.911365225747128e-03 | PASS |
| spack_foss-2022a_mpi_debug | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| spack_foss-2023a_serial_min | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| spack_intel-2022a_serial_omp | -3.744340809476223e+01 | 2.373409556355455e-05 | 7.911365187851516e-03 | PASS |
| spack_intel-2023a_serial | -3.744340809476216e+01 | 2.373409563460882e-05 | 7.911365211536273e-03 | PASS |
| spack_intel-2023a_serial_omp | -3.744340809476223e+01 | 2.373409556355455e-05 | 7.911365187851516e-03 | PASS |
| spack_intel-2023a_impi | -3.744340809476210e+01 | 2.373409569855767e-05 | 7.911365232852555e-03 | PASS |
| spack_intel-2022a_impi_omp | -3.744340809476226e+01 | 2.373409553513284e-05 | 7.911365178377613e-03 | PASS |