Workunit 31589624
| name | shp2_A08_A02_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5754 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:35:49 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 |
|---|---|---|---|---|---|---|---|---|
| 38643003 | 580989 | 7 May 2026, 10:35:57 UTC | 7 May 2026, 19:44:07 UTC | Error while computing | 1,264.16 | 1,164.06 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643804 | 641933 | 7 May 2026, 19:44:16 UTC | 7 May 2026, 19:55:15 UTC | Error while computing | 300.90 | 285.87 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643816 | 520656 | 7 May 2026, 19:55:20 UTC | 8 May 2026, 2:59:55 UTC | Error while computing | 437.36 | 335.84 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644075 | 644621 | 8 May 2026, 3:00:03 UTC | 8 May 2026, 7:23:06 UTC | Error while computing | 288.45 | 172.63 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644198 | 650211 | 8 May 2026, 7:23:13 UTC | 8 May 2026, 7:38:25 UTC | Error while computing | 787.54 | 754.74 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644208 | 611392 | 8 May 2026, 7:38:43 UTC | 10 May 2026, 9:41:44 UTC | Error while computing | 2,564.71 | 2,260.97 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644890 | 649650 | 10 May 2026, 9:41:50 UTC | 10 May 2026, 9:42:45 UTC | Aborted | 20.26 | 0.02 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644891 | 651345 | 10 May 2026, 9:42:53 UTC | 10 May 2026, 9:43:27 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644892 | 549890 | 10 May 2026, 9:43:29 UTC | 10 May 2026, 9:57:05 UTC | Error while computing | 775.93 | 775.93 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644896 | 651474 | 10 May 2026, 9:57:11 UTC | 10 May 2026, 11:17:00 UTC | Error while computing | 1,168.54 | 614.36 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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