Workunit 31589761
| name | shp2_A26_A17_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND3233 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:49:04 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 |
|---|---|---|---|---|---|---|---|---|
| 38643149 | 651901 | 7 May 2026, 10:49:27 UTC | 8 May 2026, 8:54:29 UTC | Error while computing | 31,676.36 | 4,623.61 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644236 | 651346 | 8 May 2026, 8:54:36 UTC | 8 May 2026, 14:13:42 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644372 | 652185 | 8 May 2026, 14:13:46 UTC | 8 May 2026, 15:08:33 UTC | Error while computing | 3,185.63 | 2,989.45 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644401 | 637171 | 8 May 2026, 15:08:43 UTC | 8 May 2026, 16:45:31 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644444 | 631724 | 8 May 2026, 16:45:42 UTC | 8 May 2026, 18:04:10 UTC | Error while computing | 801.31 | 801.31 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644476 | 646948 | 8 May 2026, 18:04:17 UTC | 8 May 2026, 18:40:52 UTC | Error while computing | 959.29 | 818.09 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644484 | 503617 | 8 May 2026, 18:40:58 UTC | 10 May 2026, 18:59:22 UTC | Error while computing | 9,407.65 | 9,407.65 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644938 | 644950 | 10 May 2026, 18:59:29 UTC | 10 May 2026, 21:06:00 UTC | Error while computing | 7,036.06 | 7,036.06 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644951 | 400693 | 10 May 2026, 21:06:10 UTC | 13 May 2026, 3:39:37 UTC | Error while computing | 13,667.01 | 13,146.25 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645138 | 617412 | 13 May 2026, 3:39:46 UTC | 13 May 2026, 6:42:20 UTC | Error while computing | 3,668.91 | 3,668.91 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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