Workunit 31545009

name JNK1_A10_A05_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND3327
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:12:41 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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38579655 526681 11 Dec 2025, 13:12:47 UTC 11 Dec 2025, 13:22:23 UTC Error while computing 244.02 76.42 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579827 637607 11 Dec 2025, 13:22:29 UTC 11 Dec 2025, 13:45:22 UTC Error while computing 100.51 20.03 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580059 641444 11 Dec 2025, 13:45:28 UTC 13 Dec 2025, 7:09:30 UTC Error while computing 133.82 42.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582549 641199 13 Dec 2025, 7:09:42 UTC 13 Dec 2025, 8:36:12 UTC Error while computing 121.45 10.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582625 590406 13 Dec 2025, 8:36:24 UTC 13 Dec 2025, 20:50:12 UTC Error while computing 69.70 20.03 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583152 628374 13 Dec 2025, 20:50:20 UTC 13 Dec 2025, 20:53:04 UTC Error while computing 36.08 2.60 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583154 616491 13 Dec 2025, 20:53:09 UTC 14 Dec 2025, 2:42:34 UTC Error while computing 162.56 25.72 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583367 641904 14 Dec 2025, 2:42:41 UTC 14 Dec 2025, 2:48:00 UTC Error while computing 83.12 26.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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