Workunit 31589745
| name | shp2_A22_A13_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4698 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:47:34 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 |
|---|---|---|---|---|---|---|---|---|
| 38643131 | 651032 | 7 May 2026, 10:47:44 UTC | 7 May 2026, 14:56:05 UTC | Error while computing | 8,738.86 | 7,510.66 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643494 | 648066 | 7 May 2026, 14:56:16 UTC | 7 May 2026, 18:20:54 UTC | Error while computing | 149.57 | 109.44 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643742 | 639300 | 7 May 2026, 18:21:03 UTC | 8 May 2026, 17:17:04 UTC | Error while computing | 633.66 | 629.05 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644460 | 637171 | 8 May 2026, 17:17:17 UTC | 8 May 2026, 23:44:18 UTC | Error while computing | 3,300.85 | 3,300.85 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644590 | 506550 | 8 May 2026, 23:44:27 UTC | 9 May 2026, 0:15:29 UTC | Error while computing | 237.48 | 150.70 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644600 | 637552 | 9 May 2026, 0:15:40 UTC | 9 May 2026, 5:50:26 UTC | Error while computing | 469.96 | 371.43 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644679 | 652185 | 9 May 2026, 5:50:33 UTC | 9 May 2026, 6:45:33 UTC | Error while computing | 362.54 | 300.02 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644687 | 611154 | 9 May 2026, 6:45:40 UTC | 9 May 2026, 7:21:16 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644694 | 628466 | 9 May 2026, 7:21:21 UTC | 9 May 2026, 8:31:12 UTC | Error while computing | 334.32 | 178.27 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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