Match comparison for Energy [step 10] (match type 14082)
Commits >
Commit abc749737cc12a5b79d975879ed425be2e62065f >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.790950309455620e+01 | 1.900000000000000e-12 | -3.790950309455621e+01 | 6.955150565658158e-14 | -3.790950309455617e+01 | 1.350031197944190e-13 | PASS |
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Detailed information
Reference: -37.9095030945562, precision: 0.0000000000019| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.790950309455626e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| spack_foss-2022a_serial_opt | -3.790950309455626e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| spack_foss-2022a_serial_min | -3.790950309455626e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| spack_foss-2022a_serial | -3.790950309455626e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| foss-2022a_opt | -3.790950309455628e+01 | -7.815970093361102e-14 | -4.113668470190054e-02 | PASS |
| intel-2022b | -3.790950309455626e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| intel-2022a | -3.790950309455626e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.790950309455621e+01 | -1.421085471520200e-14 | -7.479397218527370e-03 | PASS |
| spack_foss-2022a_serial_omp | -3.790950309455624e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| eb_fosscuda-2022a | -3.790950309455631e+01 | -1.065814103640150e-13 | -5.609547913895528e-02 | PASS |
| foss-2022a_omp | -3.790950309455625e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| foss-2022a_ppc | -3.790950309455619e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| spack_foss-2022a_serial_debug | -3.790950309455626e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| intel-2022a_omp | -3.790950309455614e+01 | 6.394884621840902e-14 | 3.365728748337317e-02 | PASS |
| intel-2022b_impi | -3.790950309455605e+01 | 1.492139745096210e-13 | 7.853367079453739e-02 | PASS |
| intel-2022a_impi | -3.790950309455605e+01 | 1.492139745096210e-13 | 7.853367079453739e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.790950309455626e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.790950309455619e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| foss-2022a_mpi_omp | -3.790950309455618e+01 | 2.131628207280301e-14 | 1.121909582779106e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.790950309455621e+01 | -7.105427357601002e-15 | -3.739698609263685e-03 | PASS |
| eb_foss-2022a | -3.790950309455625e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| eb_foss-2022b_libxc6 | -3.790950309455623e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| intel-2022a_omp_impi | -3.790950309455604e+01 | 1.634248292248230e-13 | 8.601306801306476e-02 | PASS |
| eb_foss-2022a_mpi | -3.790950309455620e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_debug | -3.790950309455625e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.790950309455622e+01 | -2.131628207280301e-14 | -1.121909582779106e-02 | PASS |
| eb_foss-2022a_mpi_debug | -3.790950309455620e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |