Workunit 31589720
| name | shp2_A20_A23_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND3627 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:45:12 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 |
|---|---|---|---|---|---|---|---|---|
| 38643104 | 650843 | 7 May 2026, 10:45:17 UTC | 7 May 2026, 14:40:26 UTC | Error while computing | 399.35 | 326.97 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643473 | 604231 | 7 May 2026, 14:40:35 UTC | 7 May 2026, 18:17:07 UTC | Error while computing | 1,682.61 | 1,682.61 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643732 | 648092 | 7 May 2026, 18:17:17 UTC | 7 May 2026, 18:17:51 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643735 | 646128 | 7 May 2026, 18:18:05 UTC | 7 May 2026, 18:30:07 UTC | Error while computing | 629.58 | 551.43 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643750 | 649204 | 7 May 2026, 18:30:19 UTC | 7 May 2026, 19:19:37 UTC | Error while computing | 2,824.47 | 2,701.92 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643779 | 633620 | 7 May 2026, 19:19:50 UTC | 10 May 2026, 12:45:52 UTC | Error while computing | 8,762.97 | 8,614.90 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644908 | 604216 | 10 May 2026, 12:45:59 UTC | 10 May 2026, 13:02:35 UTC | Error while computing | 308.76 | 238.39 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644910 | 631977 | 10 May 2026, 13:02:43 UTC | 11 May 2026, 8:18:45 UTC | Error while computing | 6,711.49 | 6,573.89 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644988 | 557889 | 11 May 2026, 8:18:54 UTC | 11 May 2026, 9:13:16 UTC | Error while computing | 2,288.08 | 2,243.18 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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