Workunit 31550466
| name | shp2_A20_A19_r0_2-QUICO_ATM_GAFF2_LOMAP_SHP2-1-6-RND8360 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 15 Jan 2026, 7:10:24 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38589895 | 648916 | 15 Jan 2026, 7:10:32 UTC | 16 Jan 2026, 17:09:22 UTC | Error while computing | 45,804.04 | 45,804.04 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38590641 | 637740 | 16 Jan 2026, 17:09:28 UTC | 17 Jan 2026, 16:17:41 UTC | Error while computing | 33,496.43 | 31,743.38 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38591012 | 641842 | 17 Jan 2026, 16:17:52 UTC | 18 Jan 2026, 0:10:16 UTC | Error while computing | 22,373.83 | 22,124.03 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38591169 | 595174 | 18 Jan 2026, 0:10:24 UTC | 18 Jan 2026, 20:37:13 UTC | Error while computing | 13,504.16 | 13,504.16 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38591645 | 603512 | 18 Jan 2026, 20:37:19 UTC | 19 Jan 2026, 4:49:46 UTC | Error while computing | 29,017.94 | 28,970.34 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38591796 | 648092 | 19 Jan 2026, 4:49:52 UTC | 19 Jan 2026, 4:52:57 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38591797 | 648095 | 19 Jan 2026, 4:53:05 UTC | 19 Jan 2026, 4:54:16 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38591798 | 648089 | 19 Jan 2026, 4:54:26 UTC | 19 Jan 2026, 4:55:01 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38591800 | 615948 | 19 Jan 2026, 4:55:07 UTC | 24 Jan 2026, 4:55:07 UTC | Timed out - no response | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38593247 | 641403 | 24 Jan 2026, 4:55:15 UTC | 29 Jan 2026, 4:55:15 UTC | In progress | --- | --- | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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