Workunit 31588837
| name | shp2_A21_A16_r0_3-QUICO_ATM_GAFF2_NAGL_shp2-5-6-RND4830 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 3 May 2026, 4:14:37 UTC |
| canonical result | 38644420 |
| granted credit | 750,000.00 |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38641717 | 611154 | 3 May 2026, 4:14:43 UTC | 3 May 2026, 13:44:09 UTC | Error while computing | 17,067.89 | 16,882.08 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38641934 | 649995 | 3 May 2026, 13:44:12 UTC | 8 May 2026, 14:51:36 UTC | Error while computing | 73.76 | 30.59 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644349 | 651345 | 8 May 2026, 13:44:18 UTC | 8 May 2026, 15:58:27 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644420 | 647736 | 8 May 2026, 15:58:34 UTC | 9 May 2026, 5:20:45 UTC | Completed and validated | 22,871.23 | 22,466.37 | 750,000.00 | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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