Task 38580793
| Name | JNK1_A20_A05_r2_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND8918_4 |
| Workunit | 31545038 |
| Created | 11 Dec 2025, 22:33:02 UTC |
| Sent | 11 Dec 2025, 22:33:04 UTC |
| Report deadline | 16 Dec 2025, 22:33:04 UTC |
| Received | 11 Dec 2025, 22:36:07 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Aborted by user |
| Exit status | 203 (0x000000CB) EXIT_ABORTED_VIA_GUI |
| Computer ID | 635604 |
| Run time | 22 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 10,431.98 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| Peak working set size | 4.88 MB |
| Peak swap size | 13.16 MB |
| Peak disk usage | 1.37 GB |
Stderr output
<core_client_version>8.3.0</core_client_version> <![CDATA[ <message> aborted by user</message> <stderr_txt> 2025-12-11 17:35:31 (391530): wrapper (8.1.26018): starting 2025-12-11 17:36:00 (391530): wrapper: running bin/python (bin/conda-unpack) 2025-12-11 17:36:00 (391530): wrapper: created child process 391635 2025-12-11 17:36:01 (391530): bin/python exited; CPU time 0.252118 2025-12-11 17:36:01 (391530): wrapper: running bin/tar (xjvf input.tar.bz2) 2025-12-11 17:36:01 (391530): wrapper: created child process 391639 </stderr_txt> ]]>
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