Workunit 31590042
| name | shp2_A05_A25_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-1-6-RND7666 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 8 May 2026, 20:03:18 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many errors (may have bug) Too many total results |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38644508 | 618582 | 8 May 2026, 20:03:28 UTC | 8 May 2026, 21:34:54 UTC | Error while computing | 4,940.58 | 4,940.58 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644547 | 549890 | 8 May 2026, 21:35:02 UTC | 9 May 2026, 4:27:33 UTC | Error while computing | 24,751.00 | 25,541.01 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644645 | 619022 | 9 May 2026, 4:27:43 UTC | 9 May 2026, 8:04:34 UTC | Error while computing | 11,601.15 | 11,467.73 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644708 | 647736 | 9 May 2026, 8:04:40 UTC | 9 May 2026, 14:14:21 UTC | Error while computing | 18,454.64 | 18,155.99 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644771 | 616787 | 9 May 2026, 14:14:24 UTC | 9 May 2026, 14:42:03 UTC | Error while computing | 1,018.82 | 1,018.82 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644783 | 596137 | 9 May 2026, 14:42:05 UTC | 10 May 2026, 12:37:12 UTC | Error while computing | 10,673.36 | 10,453.03 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644907 | 644191 | 10 May 2026, 12:37:20 UTC | 10 May 2026, 13:38:04 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644912 | 650754 | 10 May 2026, 13:38:10 UTC | 10 May 2026, 17:41:19 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644933 | 604216 | 10 May 2026, 17:41:27 UTC | 10 May 2026, 20:27:15 UTC | Error while computing | 9,756.60 | 9,590.81 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644945 | 503617 | 10 May 2026, 20:27:24 UTC | 11 May 2026, 15:09:32 UTC | Error while computing | 5,782.79 | 5,782.79 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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