Workunit 31545011

name JNK1_A14_A09_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND7487
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:12:51 UTC
minimum quorum 1
initial replication 1
max # of error/total/success tasks 7, 10, 6
errors Too many errors (may have bug)
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CreditApplication
38579657 484079 11 Dec 2025, 13:12:57 UTC 11 Dec 2025, 13:19:10 UTC Error while computing 200.07 12.36 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579760 637171 11 Dec 2025, 13:19:18 UTC 11 Dec 2025, 13:24:11 UTC Error while computing 47.92 9.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579860 615338 11 Dec 2025, 13:24:13 UTC 11 Dec 2025, 17:27:22 UTC Error while computing 485.18 58.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580711 633569 11 Dec 2025, 17:27:28 UTC 11 Dec 2025, 17:53:23 UTC Error while computing 127.95 11.33 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580714 505468 11 Dec 2025, 17:53:29 UTC 11 Dec 2025, 18:06:11 UTC Error while computing 180.08 31.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580717 632099 11 Dec 2025, 18:06:20 UTC 11 Dec 2025, 18:10:31 UTC Error while computing 112.00 13.03 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580718 549890 11 Dec 2025, 18:10:44 UTC 11 Dec 2025, 22:55:16 UTC Aborted 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580808 500729 11 Dec 2025, 22:55:21 UTC 11 Dec 2025, 23:03:34 UTC Error while computing 326.09 28.64 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580810 480458 11 Dec 2025, 23:03:45 UTC 12 Dec 2025, 0:14:33 UTC Error while computing 75.56 20.10 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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