Workunit 31589649
| name | shp2_A12_A02_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND7838 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:38:19 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 |
|---|---|---|---|---|---|---|---|---|
| 38643028 | 650208 | 7 May 2026, 10:38:27 UTC | 7 May 2026, 11:37:46 UTC | Error while computing | 3,559.00 | 3,621.64 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643254 | 642338 | 7 May 2026, 11:37:58 UTC | 7 May 2026, 16:02:39 UTC | Error while computing | 15,881.00 | 15,916.16 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643597 | 580989 | 7 May 2026, 16:02:49 UTC | 8 May 2026, 0:05:58 UTC | Error while computing | 10,130.43 | 10,032.30 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643970 | 612984 | 8 May 2026, 0:06:07 UTC | 8 May 2026, 0:52:36 UTC | Error while computing | 2,493.00 | 2,370.34 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644001 | 650843 | 8 May 2026, 0:52:43 UTC | 8 May 2026, 2:30:23 UTC | Error while computing | 5,739.52 | 5,559.83 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644062 | 579678 | 8 May 2026, 2:30:37 UTC | 8 May 2026, 9:29:43 UTC | Error while computing | 21,961.34 | 21,961.34 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644254 | 549890 | 8 May 2026, 9:29:53 UTC | 8 May 2026, 10:02:59 UTC | Error while computing | 1,506.89 | 1,506.89 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644266 | 594224 | 8 May 2026, 10:03:02 UTC | 13 May 2026, 10:03:02 UTC | Timed out - no response | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645147 | 652604 | 13 May 2026, 10:03:04 UTC | 13 May 2026, 14:22:27 UTC | Error while computing | 6,119.20 | 6,119.20 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
©2026 Universitat Pompeu Fabra