Task 38637854
| Name | BACE_A29_A09_r0_2-QUICO_ATM_OpenFF23_NAGL_BACE-3-6-RND9790_0 |
| Workunit | 31585777 |
| Created | 29 Apr 2026, 21:28:49 UTC |
| Sent | 29 Apr 2026, 21:28:53 UTC |
| Report deadline | 4 May 2026, 21:28:53 UTC |
| Received | 29 Apr 2026, 21:58:27 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 1 (0x00000001) Unknown error code |
| Computer ID | 551601 |
| Run time | 1 min 26 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 9,148.71 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 10.80 MB |
| Peak swap size | 5.18 MB |
| Peak disk usage | 2.07 GB |
Stderr output
<core_client_version>8.2.9</core_client_version> <![CDATA[ <message> Incorrect function. (0x1) - exit code 1 (0x1)</message> ]]>
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