Input 10-bomd.02-td.inp
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run foss-cmake-zen4: [foss2023a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966518178e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | 2.096159690267996e-09 | FAIL |
| Energy [step 2] | -1.058158908088515e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | 2.351548289425409e-09 | FAIL |
| Energy [step 3] | -1.058145774185970e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.091343986876382e-09 | PASS |
| Energy [step 4] | -1.058134610345085e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.074848985486824e-09 | PASS |
| Forces [step 1] | -1.538475246426534e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | 2.243734776030681e-07 | FAIL |
| Forces [step 2] | -1.732219674655268e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | -2.183376914821622e-07 | FAIL |
| Forces [step 3] | -1.918267860685668e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -3.341009038315690e-07 | FAIL |
| Forces [step 4] | -2.092291593095506e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -7.646112704096097e-08 | PASS |