Task 38602609
| Name | BACE_A30_A08_r0_1-QUICO_ATM_GAFF2_NAGL_BACE-3-6-RND0414_0 |
| Workunit | 31556991 |
| Created | 10 Apr 2026, 4:31:32 UTC |
| Sent | 10 Apr 2026, 4:31:38 UTC |
| Report deadline | 15 Apr 2026, 4:31:38 UTC |
| Received | 10 Apr 2026, 6:20:41 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Aborted by user |
| Exit status | 203 (0x000000CB) EXIT_ABORTED_VIA_GUI |
| Computer ID | 618719 |
| Run time | 3 min 33 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 4,538.29 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 11.21 MB |
| Peak swap size | 6.23 MB |
| Peak disk usage | 3.92 GB |
Stderr output
<core_client_version>8.2.4</core_client_version> <![CDATA[ <message> aborted by user</message> ]]>
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