Workunit 31545111

name JNK1_A31_A38_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND1698
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:22:11 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
38579821 640745 11 Dec 2025, 13:22:22 UTC 11 Dec 2025, 14:00:33 UTC Error while computing 381.24 62.78 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580155 621366 11 Dec 2025, 14:00:45 UTC 11 Dec 2025, 14:07:55 UTC Error while computing 55.38 6.92 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580192 637171 11 Dec 2025, 14:08:08 UTC 11 Dec 2025, 14:10:10 UTC Error while computing 44.89 12.20 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580200 503617 11 Dec 2025, 14:10:14 UTC 11 Dec 2025, 14:17:12 UTC Error while computing 86.88 26.98 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580234 484079 11 Dec 2025, 14:17:27 UTC 11 Dec 2025, 14:37:57 UTC Error while computing 229.37 20.84 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580441 647453 11 Dec 2025, 14:38:06 UTC 12 Dec 2025, 0:17:27 UTC Error while computing 51.54 12.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580835 628746 12 Dec 2025, 0:17:32 UTC 12 Dec 2025, 0:25:55 UTC Error while computing 103.14 17.23 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580839 186626 12 Dec 2025, 0:26:02 UTC 12 Dec 2025, 0:59:53 UTC Error while computing 116.66 36.03 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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