Workunit 31545117

name JNK1_A34_A12_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND4772
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:22:43 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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38579840 611154 11 Dec 2025, 13:22:48 UTC 11 Dec 2025, 13:26:34 UTC Error while computing 50.39 6.72 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579896 627499 11 Dec 2025, 13:26:38 UTC 11 Dec 2025, 13:30:15 UTC Error while computing 134.96 12.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579937 549890 11 Dec 2025, 13:30:24 UTC 11 Dec 2025, 13:32:40 UTC Error while computing 73.47 30.49 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579956 627914 11 Dec 2025, 13:32:48 UTC 11 Dec 2025, 13:48:00 UTC Error while computing 101.81 8.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580083 647027 11 Dec 2025, 13:48:09 UTC 11 Dec 2025, 13:55:39 UTC Error while computing 227.23 21.67 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580128 637171 11 Dec 2025, 13:55:43 UTC 11 Dec 2025, 14:01:53 UTC Error while computing 53.02 4.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580160 645767 11 Dec 2025, 14:01:59 UTC 11 Dec 2025, 14:26:02 UTC Error while computing 417.45 50.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580305 637595 11 Dec 2025, 14:26:04 UTC 11 Dec 2025, 14:28:07 UTC Error while computing 47.61 6.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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