Task 38644871
| Name | shp2_A18_A04_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND8993_6 |
| Workunit | 31589679 |
| Created | 10 May 2026, 8:30:11 UTC |
| Sent | 10 May 2026, 8:30:18 UTC |
| Report deadline | 15 May 2026, 8:30:18 UTC |
| Received | 10 May 2026, 8:30:55 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Aborted by user |
| Exit status | 203 (0x000000CB) EXIT_ABORTED_VIA_GUI |
| Computer ID | 651345 |
| Run time | |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 36,135.86 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
Stderr output
<core_client_version>8.2.9</core_client_version> <![CDATA[ <message> aborted by user</message> ]]>
©2026 Universitat Pompeu Fabra