Workunit 31589914
| name | shp2_A05_A25_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-1-6-RND3016 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 8 May 2026, 1:21:13 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 |
|---|---|---|---|---|---|---|---|---|
| 38644018 | 646562 | 8 May 2026, 1:21:20 UTC | 8 May 2026, 12:19:53 UTC | Error while computing | 37,130.59 | 37,130.59 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644315 | 650701 | 8 May 2026, 12:20:01 UTC | 8 May 2026, 14:16:51 UTC | Error while computing | 6,889.69 | 6,206.75 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644378 | 618582 | 8 May 2026, 14:17:00 UTC | 8 May 2026, 16:28:52 UTC | Error while computing | 5,954.23 | 5,954.23 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644428 | 651330 | 8 May 2026, 16:28:59 UTC | 8 May 2026, 16:34:03 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644433 | 642776 | 8 May 2026, 16:34:10 UTC | 8 May 2026, 19:06:30 UTC | Error while computing | 9,140.00 | 9,202.47 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644492 | 611154 | 8 May 2026, 19:06:37 UTC | 8 May 2026, 23:03:28 UTC | Error while computing | 4,347.83 | 4,346.47 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644581 | 647196 | 8 May 2026, 23:03:34 UTC | 9 May 2026, 8:03:48 UTC | Error while computing | 30,516.91 | 24,813.63 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644706 | 648094 | 9 May 2026, 8:03:52 UTC | 9 May 2026, 8:04:26 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644707 | 642492 | 9 May 2026, 8:04:31 UTC | 9 May 2026, 9:56:13 UTC | Error while computing | 977.15 | 830.42 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644732 | 485535 | 9 May 2026, 9:56:18 UTC | 9 May 2026, 12:37:22 UTC | Error while computing | 9,609.25 | 9,082.50 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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