Task 38644739
| Name | shp2_A20_A09_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND2360_8 |
| Workunit | 31589691 |
| Created | 9 May 2026, 10:26:05 UTC |
| Sent | 9 May 2026, 10:26:10 UTC |
| Report deadline | 14 May 2026, 10:26:10 UTC |
| Received | 9 May 2026, 10:26:51 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Aborted by user |
| Exit status | 203 (0x000000CB) EXIT_ABORTED_VIA_GUI |
| Computer ID | 649650 |
| Run time | 1 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 29,154.93 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 10.76 MB |
| Peak swap size | 5.18 MB |
| Peak disk usage | 1.52 GB |
Stderr output
<core_client_version>8.2.9</core_client_version> <![CDATA[ <message> aborted by user</message> ]]>
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