Workunit 31589612
| name | shp2_A05_A25_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4485 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:34:34 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 |
|---|---|---|---|---|---|---|---|---|
| 38642991 | 593616 | 7 May 2026, 10:34:40 UTC | 7 May 2026, 12:16:15 UTC | Error while computing | 748.78 | 748.78 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643314 | 622998 | 7 May 2026, 12:16:27 UTC | 7 May 2026, 17:04:44 UTC | Error while computing | 15,563.75 | 15,563.75 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643658 | 652265 | 7 May 2026, 17:04:53 UTC | 8 May 2026, 11:51:06 UTC | Error while computing | 5,401.36 | 4,791.59 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644304 | 649261 | 8 May 2026, 11:51:19 UTC | 8 May 2026, 13:19:31 UTC | Error while computing | 4,677.94 | 4,573.12 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644333 | 580989 | 8 May 2026, 13:19:41 UTC | 8 May 2026, 22:54:39 UTC | Error while computing | 2,406.23 | 2,406.23 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644575 | 649650 | 8 May 2026, 22:54:43 UTC | 8 May 2026, 22:54:59 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644576 | 625602 | 8 May 2026, 22:55:03 UTC | 8 May 2026, 23:32:45 UTC | Error while computing | 287.70 | 244.28 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644586 | 637171 | 8 May 2026, 23:32:52 UTC | 9 May 2026, 3:39:43 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644632 | 652262 | 9 May 2026, 3:39:47 UTC | 9 May 2026, 5:38:09 UTC | Error while computing | 589.74 | 569.37 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644675 | 627850 | 9 May 2026, 5:38:15 UTC | 9 May 2026, 8:09:48 UTC | Error while computing | 9,093.00 | 9,229.78 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
©2026 Universitat Pompeu Fabra