Workunit 31589618
| name | shp2_A07_A06_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND0486 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:35:05 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 |
|---|---|---|---|---|---|---|---|---|
| 38642997 | 569442 | 7 May 2026, 10:35:17 UTC | 8 May 2026, 7:36:10 UTC | Error while computing | 1,389.06 | 1,340.87 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644206 | 628418 | 8 May 2026, 7:36:18 UTC | 8 May 2026, 7:49:28 UTC | Error while computing | 454.95 | 389.45 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644211 | 611154 | 8 May 2026, 7:49:35 UTC | 8 May 2026, 9:33:48 UTC | Error while computing | 164.70 | 127.15 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644256 | 652496 | 8 May 2026, 9:33:50 UTC | 8 May 2026, 9:54:09 UTC | Error while computing | 685.41 | 635.50 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644262 | 604216 | 8 May 2026, 9:54:16 UTC | 8 May 2026, 22:50:21 UTC | Error while computing | 247.30 | 190.68 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644572 | 410651 | 8 May 2026, 22:50:28 UTC | 8 May 2026, 23:41:55 UTC | Error while computing | 1,884.36 | 1,661.33 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644589 | 628466 | 8 May 2026, 23:42:00 UTC | 9 May 2026, 0:26:36 UTC | Error while computing | 289.40 | 148.30 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644601 | 651345 | 9 May 2026, 0:26:42 UTC | 9 May 2026, 0:27:15 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644602 | 588349 | 9 May 2026, 0:27:22 UTC | 9 May 2026, 1:29:13 UTC | Error while computing | 236.02 | 233.52 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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