Task 38580317
| Name | JNK1_A20_A01_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND1050_0 |
| Workunit | 31545167 |
| Created | 11 Dec 2025, 14:26:58 UTC |
| Sent | 11 Dec 2025, 14:27:01 UTC |
| Report deadline | 16 Dec 2025, 14:27:01 UTC |
| Received | 11 Dec 2025, 16:27:37 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Aborted by user |
| Exit status | 203 (0x000000CB) EXIT_ABORTED_VIA_GUI |
| Computer ID | 637171 |
| Run time | 14 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 53,462.25 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| Peak working set size | 5.25 MB |
| Peak swap size | 13.53 MB |
| Peak disk usage | 1.49 GB |
Stderr output
<core_client_version>8.2.8</core_client_version> <![CDATA[ <message> aborted by user</message> <stderr_txt> 2025-12-11 17:26:52 (894212): wrapper (8.1.26018): starting 2025-12-11 17:27:11 (894212): wrapper: running bin/python (bin/conda-unpack) 2025-12-11 17:27:11 (894212): wrapper: created child process 894236 2025-12-11 17:27:12 (894212): bin/python exited; CPU time 0.096365 2025-12-11 17:27:12 (894212): wrapper: running bin/tar (xjvf input.tar.bz2) 2025-12-11 17:27:12 (894212): wrapper: created child process 894238 </stderr_txt> ]]>
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