Workunit 31545056

name JNK1_A20_A33_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND9928
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:17:12 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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38579722 647736 11 Dec 2025, 13:17:20 UTC 11 Dec 2025, 13:27:22 UTC Error while computing 44.27 12.65 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579906 549890 11 Dec 2025, 13:27:28 UTC 11 Dec 2025, 13:29:41 UTC Error while computing 73.31 29.12 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579930 628418 11 Dec 2025, 13:29:50 UTC 11 Dec 2025, 13:45:48 UTC Error while computing 444.95 62.36 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580064 484079 11 Dec 2025, 13:45:58 UTC 11 Dec 2025, 14:06:04 UTC Error while computing 226.98 20.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580182 601443 11 Dec 2025, 14:06:11 UTC 11 Dec 2025, 14:16:48 UTC Error while computing 14.91 14.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580231 637171 11 Dec 2025, 14:16:55 UTC 11 Dec 2025, 14:18:57 UTC Error while computing 47.95 8.67 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580239 596137 11 Dec 2025, 14:19:05 UTC 11 Dec 2025, 14:24:33 UTC Error while computing 144.71 13.56 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580276 642352 11 Dec 2025, 14:24:39 UTC 11 Dec 2025, 15:08:44 UTC Error while computing 236.05 34.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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