Workunit 31589750
| name | shp2_A24_A06_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND0678 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:48:00 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 |
|---|---|---|---|---|---|---|---|---|
| 38643137 | 647993 | 7 May 2026, 10:48:14 UTC | 7 May 2026, 12:43:06 UTC | Error while computing | 148.12 | 56.88 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643343 | 605111 | 7 May 2026, 12:43:25 UTC | 7 May 2026, 12:47:45 UTC | Error while computing | 127.47 | 83.15 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643348 | 632099 | 7 May 2026, 12:47:59 UTC | 7 May 2026, 13:03:51 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643372 | 651905 | 7 May 2026, 13:03:55 UTC | 7 May 2026, 13:46:36 UTC | Error while computing | 181.49 | 104.98 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643421 | 503617 | 7 May 2026, 13:46:41 UTC | 10 May 2026, 9:23:18 UTC | Error while computing | 175.55 | 106.02 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644883 | 638240 | 10 May 2026, 9:23:24 UTC | 10 May 2026, 9:47:39 UTC | Error while computing | 198.08 | 92.27 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644893 | 562435 | 10 May 2026, 9:47:47 UTC | 10 May 2026, 10:32:05 UTC | Error while computing | 467.92 | 151.05 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644898 | 649650 | 10 May 2026, 10:32:11 UTC | 10 May 2026, 10:33:08 UTC | Aborted | 2.03 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644899 | 163955 | 10 May 2026, 10:33:13 UTC | 10 May 2026, 10:38:19 UTC | Error while computing | 113.09 | 63.83 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644900 | 613630 | 10 May 2026, 10:38:21 UTC | 10 May 2026, 10:55:51 UTC | Error while computing | 174.32 | 88.91 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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