Workunit 31585284
| name | tnks2_A18_A12_r0_4-QUICO_ATM_OpenFF23_NAGL_tnks2-0-6-RND8575 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 29 Apr 2026, 14:24:15 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many errors (may have bug) |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38637211 | 526681 | 29 Apr 2026, 14:31:40 UTC | 29 Apr 2026, 15:02:22 UTC | Error while computing | 1,147.39 | 1,057.55 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38637342 | 621344 | 29 Apr 2026, 15:02:40 UTC | 4 May 2026, 15:02:40 UTC | Timed out - no response | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38642067 | 648534 | 4 May 2026, 15:02:55 UTC | 4 May 2026, 15:10:05 UTC | Error while computing | 233.84 | 174.73 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38642070 | 559474 | 4 May 2026, 15:10:21 UTC | 4 May 2026, 15:16:40 UTC | Error while computing | 234.36 | 128.55 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38642073 | 626541 | 4 May 2026, 15:16:54 UTC | 4 May 2026, 15:39:48 UTC | Error while computing | 1,155.00 | 700.67 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38642077 | 631047 | 4 May 2026, 15:40:10 UTC | 4 May 2026, 15:59:22 UTC | Error while computing | 782.25 | 653.20 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38642079 | 594998 | 4 May 2026, 15:59:38 UTC | 4 May 2026, 16:04:09 UTC | Error while computing | 173.63 | 117.58 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38642080 | 650752 | 4 May 2026, 16:04:16 UTC | 4 May 2026, 16:07:26 UTC | Error while computing | 100.89 | 4.31 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38642081 | 642492 | 4 May 2026, 16:07:35 UTC | 4 May 2026, 19:13:10 UTC | Error while computing | 381.40 | 288.05 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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