Workunit 31589661
| name | shp2_A12_A26_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9987 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:39:29 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 |
|---|---|---|---|---|---|---|---|---|
| 38643042 | 549890 | 7 May 2026, 10:39:46 UTC | 7 May 2026, 14:38:25 UTC | Error while computing | 13,102.65 | 13,102.65 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643469 | 611154 | 7 May 2026, 14:38:34 UTC | 7 May 2026, 22:40:43 UTC | Error while computing | 9,749.08 | 9,749.08 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643908 | 638123 | 7 May 2026, 22:40:49 UTC | 8 May 2026, 0:46:36 UTC | Error while computing | 1,851.97 | 1,730.45 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643995 | 156955 | 8 May 2026, 0:46:42 UTC | 8 May 2026, 2:02:28 UTC | Error while computing | 4,343.95 | 4,151.59 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644048 | 646128 | 8 May 2026, 2:02:39 UTC | 8 May 2026, 3:02:28 UTC | Abandoned | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644078 | 641444 | 8 May 2026, 3:02:31 UTC | 8 May 2026, 5:13:56 UTC | Error while computing | 7,797.93 | 7,379.94 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644125 | 186626 | 8 May 2026, 5:14:02 UTC | 8 May 2026, 16:16:32 UTC | Error while computing | 19,468.55 | 19,467.66 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644424 | 645218 | 8 May 2026, 16:16:39 UTC | 10 May 2026, 13:50:19 UTC | Error while computing | 1,076.78 | 923.38 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644913 | 651346 | 10 May 2026, 13:50:25 UTC | 10 May 2026, 13:51:20 UTC | Aborted | 15.37 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644914 | 604216 | 10 May 2026, 13:51:25 UTC | 10 May 2026, 15:24:12 UTC | Error while computing | 4,407.96 | 4,290.31 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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