Workunit 31589597
| name | shp2_A01_A13_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND1321 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:33:03 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many errors (may have bug) |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38642976 | 634391 | 7 May 2026, 10:33:11 UTC | 8 May 2026, 7:54:16 UTC | Error while computing | 17,586.22 | 17,586.22 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644214 | 604216 | 8 May 2026, 7:54:24 UTC | 8 May 2026, 22:45:54 UTC | Error while computing | 12,331.38 | 12,232.80 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644571 | 503617 | 8 May 2026, 22:45:59 UTC | 10 May 2026, 22:07:10 UTC | Error while computing | 11,322.93 | 11,322.93 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644955 | 648066 | 10 May 2026, 22:07:15 UTC | 10 May 2026, 23:29:38 UTC | Error while computing | 4,710.97 | 4,655.56 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644963 | 647736 | 10 May 2026, 23:29:48 UTC | 11 May 2026, 1:17:47 UTC | Error while computing | 5,022.30 | 4,922.98 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644968 | 629600 | 11 May 2026, 1:17:54 UTC | 11 May 2026, 2:09:36 UTC | Error while computing | 322.72 | 245.25 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644972 | 652165 | 11 May 2026, 2:09:40 UTC | 11 May 2026, 4:31:13 UTC | Error while computing | 8,360.98 | 7,996.44 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644977 | 506550 | 11 May 2026, 4:31:18 UTC | 11 May 2026, 6:44:05 UTC | Error while computing | 2,042.98 | 2,042.98 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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