Workunit 31589694
| name | shp2_A20_A10_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9366 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:42:51 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 |
|---|---|---|---|---|---|---|---|---|
| 38643076 | 632103 | 7 May 2026, 10:42:56 UTC | 7 May 2026, 12:19:24 UTC | Error while computing | 4,812.11 | 4,812.11 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643320 | 650005 | 7 May 2026, 12:19:30 UTC | 7 May 2026, 14:58:52 UTC | Error while computing | 7,701.83 | 7,701.83 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643499 | 642350 | 7 May 2026, 14:59:07 UTC | 8 May 2026, 3:36:10 UTC | Error while computing | 1,184.05 | 1,116.09 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644089 | 631738 | 8 May 2026, 3:36:18 UTC | 8 May 2026, 23:39:11 UTC | Error while computing | 8,204.88 | 7,836.16 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644588 | 642213 | 8 May 2026, 23:39:14 UTC | 8 May 2026, 23:58:43 UTC | Error while computing | 346.04 | 284.39 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644596 | 651345 | 8 May 2026, 23:58:49 UTC | 8 May 2026, 23:59:22 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644597 | 628466 | 8 May 2026, 23:59:31 UTC | 9 May 2026, 5:25:15 UTC | Error while computing | 17,926.43 | 13,697.38 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644665 | 647736 | 9 May 2026, 5:25:23 UTC | 9 May 2026, 5:51:24 UTC | Error while computing | 1,409.08 | 1,359.54 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644680 | 579678 | 9 May 2026, 5:51:28 UTC | 9 May 2026, 7:03:24 UTC | Error while computing | 3,628.17 | 3,628.17 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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