Workunit 31578669
| name | MCL1_RE_A42_A32_r0_2-QUICO_ATM_OpenFF23_NAGL_MCL1_RE-3-6-RND5235 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 25 Apr 2026, 1:20:34 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 |
|---|---|---|---|---|---|---|---|---|
| 38629137 | 639137 | 25 Apr 2026, 1:20:38 UTC | 25 Apr 2026, 7:37:44 UTC | Error while computing | 101.70 | 4.13 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38629795 | 630739 | 25 Apr 2026, 7:38:30 UTC | 27 Apr 2026, 7:43:58 UTC | Error while computing | 180.98 | 12.48 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38633585 | 648094 | 27 Apr 2026, 7:44:11 UTC | 27 Apr 2026, 9:14:49 UTC | Error while computing | 56.79 | 1.92 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38633685 | 617107 | 27 Apr 2026, 9:15:31 UTC | 27 Apr 2026, 16:01:24 UTC | Error while computing | 336.09 | 29.28 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38634021 | 649650 | 27 Apr 2026, 16:01:31 UTC | 27 Apr 2026, 21:59:57 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38634274 | 591711 | 27 Apr 2026, 22:00:03 UTC | 28 Apr 2026, 19:23:32 UTC | Error while computing | 131.10 | 13.83 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38635846 | 648361 | 28 Apr 2026, 19:23:44 UTC | 28 Apr 2026, 19:40:08 UTC | Error while computing | 26.04 | 0.47 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38635866 | 640732 | 28 Apr 2026, 19:40:18 UTC | 29 Apr 2026, 3:55:40 UTC | Error while computing | 74.64 | 2.06 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38636373 | 651921 | 29 Apr 2026, 3:55:45 UTC | 30 Apr 2026, 7:22:50 UTC | Error while computing | 43.29 | 1.83 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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