Task 38644817
| Name | shp2_A03_A13_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9267_7 |
| Workunit | 31589602 |
| Created | 9 May 2026, 20:26:40 UTC |
| Sent | 9 May 2026, 20:26:45 UTC |
| Report deadline | 14 May 2026, 20:26:45 UTC |
| Received | 9 May 2026, 20:27:22 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Aborted by user |
| Exit status | 203 (0x000000CB) EXIT_ABORTED_VIA_GUI |
| Computer ID | 648094 |
| Run time | |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 29,155.10 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