Workunit 31552536
| name | BACE_A12_A25_r0_1-QUICO_ATM_GAFF2_NAGL_BACE-0-6-RND6026 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 8 Apr 2026, 7:29:01 UTC |
| canonical result | 38598922 |
| 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 |
|---|---|---|---|---|---|---|---|---|
| 38596584 | 645122 | 8 Apr 2026, 7:29:09 UTC | 8 Apr 2026, 7:32:24 UTC | Error while computing | 35.28 | 0.02 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38596687 | 629623 | 8 Apr 2026, 7:37:33 UTC | 8 Apr 2026, 13:11:02 UTC | Aborted | 18,703.12 | 18,703.12 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38598902 | 651820 | 8 Apr 2026, 13:11:36 UTC | 8 Apr 2026, 13:17:28 UTC | Error while computing | 76.64 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38598922 | 648332 | 8 Apr 2026, 13:17:39 UTC | 8 Apr 2026, 18:32:48 UTC | Completed and validated | 12,960.00 | 12,594.61 | 750,000.00 | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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