Match comparison for Tot. Maxwell energy [step 300] (match type 25757)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.401398408996486e-06 | 1.000000000000000e-12 | 1.401398408996542e-06 | 3.138837877131562e-20 | 1.401398408996536e-06 | 7.157428404298838e-20 | PASS |
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Detailed information
Reference: 0.0000014013984089964862, precision: 0.000000000001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.401398408996545e-06 | 5.886878983417387e-20 | 5.886878983417387e-08 | PASS |
| spack_foss-2022a_serial_min | 1.401398408996545e-06 | 5.886878983417387e-20 | 5.886878983417387e-08 | PASS |
| foss-2022a_ppc | 1.401398408996550e-06 | 6.373922928088610e-20 | 6.373922928088610e-08 | PASS |
| spack_foss-2022a_serial_opt | 1.401398408996545e-06 | 5.886878983417387e-20 | 5.886878983417387e-08 | PASS |
| spack_foss-2022a_serial | 1.401398408996545e-06 | 5.886878983417387e-20 | 5.886878983417387e-08 | PASS |
| foss-2022a_opt | 1.401398408996583e-06 | 9.634999775017666e-20 | 9.634999775017666e-08 | PASS |
| intel-2022b | 1.401398408996549e-06 | 6.331571280725895e-20 | 6.331571280725895e-08 | PASS |
| intel-2022a | 1.401398408996549e-06 | 6.331571280725895e-20 | 6.331571280725895e-08 | PASS |
| spack_foss-2022a_serial_omp | 1.401398408996607e-06 | 1.211257114573649e-19 | 1.211257114573649e-07 | PASS |
| cmake_foss_2022a_full_mpi | 1.401398408996464e-06 | -2.202285662861181e-20 | -2.202285662861181e-08 | PASS |
| spack_foss-2022a_serial_debug | 1.401398408996545e-06 | 5.886878983417387e-20 | 5.886878983417387e-08 | PASS |
| foss-2022a_omp | 1.401398408996541e-06 | 5.442186686108880e-20 | 5.442186686108880e-08 | PASS |
| intel-2022a_omp | 1.401398408996516e-06 | 2.943439491708694e-20 | 2.943439491708694e-08 | PASS |
| intel-2022b_impi | 1.401398408996572e-06 | 8.618560238312506e-20 | 8.618560238312506e-08 | PASS |
| intel-2022a_impi | 1.401398408996572e-06 | 8.618560238312506e-20 | 8.618560238312506e-08 | PASS |
| eb_fosscuda-2022a_mpi_omp | 1.401398408996551e-06 | 6.522153693858113e-20 | 6.522153693858113e-08 | PASS |
| eb_fosscuda-2022a | 1.401398408996492e-06 | 5.717472393966527e-21 | 5.717472393966527e-09 | PASS |
| cmake_foss_2022a_min_serial | 1.401398408996545e-06 | 5.886878983417387e-20 | 5.886878983417387e-08 | PASS |
| foss-2022a_mpi_omp | 1.401398408996520e-06 | 3.430483436379916e-20 | 3.430483436379916e-08 | PASS |
| cmake_foss_2022a_min_mpi | 1.401398408996540e-06 | 5.378659215064807e-20 | 5.378659215064807e-08 | PASS |
| eb_foss-2022a | 1.401398408996583e-06 | 9.634999775017666e-20 | 9.634999775017666e-08 | PASS |
| eb_foss-2022b_libxc6 | 1.401398408996493e-06 | 6.564505341220828e-21 | 6.564505341220828e-09 | PASS |
| eb_foss-2022a_debug | 1.401398408996583e-06 | 9.634999775017666e-20 | 9.634999775017666e-08 | PASS |
| intel-2022a_omp_impi | 1.401398408996491e-06 | 4.658681209898652e-21 | 4.658681209898652e-09 | PASS |
| eb_foss-2022a_mpi | 1.401398408996529e-06 | 4.298692207315574e-20 | 4.298692207315574e-08 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.401398408996554e-06 | 6.755087754353045e-20 | 6.755087754353045e-08 | PASS |
| eb_foss-2022a_mpi_debug | 1.401398408996529e-06 | 4.298692207315574e-20 | 4.298692207315574e-08 | PASS |