Workunit 31589758
| name | shp2_A25_A16_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND8192 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:48:38 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 |
|---|---|---|---|---|---|---|---|---|
| 38643146 | 156955 | 7 May 2026, 10:48:52 UTC | 7 May 2026, 13:53:14 UTC | Error while computing | 2,035.86 | 1,838.14 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643433 | 495923 | 7 May 2026, 13:53:18 UTC | 7 May 2026, 14:59:36 UTC | Error while computing | 428.84 | 387.47 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643500 | 594998 | 7 May 2026, 14:59:43 UTC | 7 May 2026, 15:19:03 UTC | Error while computing | 542.41 | 506.05 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643525 | 539539 | 7 May 2026, 15:19:08 UTC | 9 May 2026, 0:53:21 UTC | Error while computing | 967.63 | 896.77 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644609 | 613630 | 9 May 2026, 0:53:27 UTC | 9 May 2026, 1:31:33 UTC | Error while computing | 1,384.01 | 1,130.05 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644615 | 604231 | 9 May 2026, 1:31:39 UTC | 9 May 2026, 1:46:51 UTC | Error while computing | 632.58 | 632.58 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644618 | 648092 | 9 May 2026, 1:47:01 UTC | 9 May 2026, 1:47:58 UTC | Aborted | 2.05 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644619 | 651346 | 9 May 2026, 1:48:05 UTC | 9 May 2026, 1:48:21 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644620 | 625602 | 9 May 2026, 1:48:29 UTC | 9 May 2026, 4:02:16 UTC | Error while computing | 5,948.74 | 5,948.74 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644639 | 648909 | 9 May 2026, 4:02:26 UTC | 9 May 2026, 5:11:39 UTC | Error while computing | 2,395.57 | 2,363.63 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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