Workunit 31545102

name JNK1_A28_A21_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND2036
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:21:23 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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38579802 503617 11 Dec 2025, 13:21:27 UTC 11 Dec 2025, 13:27:13 UTC Error while computing 90.08 27.83 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579905 619836 11 Dec 2025, 13:27:17 UTC 11 Dec 2025, 13:30:43 UTC Error while computing 78.00 0.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579941 637171 11 Dec 2025, 13:30:52 UTC 11 Dec 2025, 13:36:03 UTC Error while computing 44.85 8.95 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579991 643097 11 Dec 2025, 13:36:13 UTC 11 Dec 2025, 13:39:07 UTC Error while computing 90.43 3.70 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580012 596137 11 Dec 2025, 13:39:13 UTC 11 Dec 2025, 13:42:59 UTC Error while computing 153.00 18.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580040 549890 11 Dec 2025, 13:43:09 UTC 11 Dec 2025, 13:45:24 UTC Error while computing 83.62 27.55 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580061 594224 11 Dec 2025, 13:45:40 UTC 11 Dec 2025, 13:49:54 UTC Error while computing 232.58 31.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580095 616747 11 Dec 2025, 13:50:06 UTC 11 Dec 2025, 13:57:25 UTC Error while computing 203.56 22.71 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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