Workunit 31545121

name JNK1_A38_A37_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND7275
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:23:06 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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38579848 632144 11 Dec 2025, 13:23:12 UTC 11 Dec 2025, 13:25:49 UTC Error while computing 68.72 9.88 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579886 549890 11 Dec 2025, 13:25:56 UTC 11 Dec 2025, 13:28:18 UTC Error while computing 76.68 29.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579922 645105 11 Dec 2025, 13:28:27 UTC 11 Dec 2025, 14:29:45 UTC Error while computing 67.73 2.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580361 635604 11 Dec 2025, 14:29:54 UTC 11 Dec 2025, 14:32:55 UTC Error while computing 66.63 20.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580411 647912 11 Dec 2025, 14:33:07 UTC 11 Dec 2025, 14:38:06 UTC Error while computing 140.97 37.66 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580442 503617 11 Dec 2025, 14:38:15 UTC 16 Dec 2025, 14:38:41 UTC Not started by deadline - canceled 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38584190 623758 16 Dec 2025, 14:38:21 UTC 16 Dec 2025, 14:43:51 UTC Error while computing 210.08 76.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38584194 630204 16 Dec 2025, 14:44:01 UTC 16 Dec 2025, 14:46:43 UTC Error while computing 56.34 7.81 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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