Workunit 31545035

name JNK1_A20_A01_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND9375
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:15:11 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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38579686 625581 11 Dec 2025, 13:15:18 UTC 11 Dec 2025, 13:22:28 UTC Error while computing 57.67 9.77 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579832 611154 11 Dec 2025, 13:22:32 UTC 11 Dec 2025, 13:24:54 UTC Error while computing 60.13 5.13 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579869 612458 11 Dec 2025, 13:24:57 UTC 11 Dec 2025, 13:48:10 UTC Error while computing 73.29 1.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580085 596137 11 Dec 2025, 13:48:21 UTC 11 Dec 2025, 13:53:03 UTC Error while computing 144.68 13.64 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580115 637171 11 Dec 2025, 13:53:08 UTC 11 Dec 2025, 13:59:16 UTC Error while computing 39.62 1.50 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580147 503617 11 Dec 2025, 13:59:28 UTC 11 Dec 2025, 14:02:15 UTC Error while computing 87.99 25.55 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580162 592403 11 Dec 2025, 14:02:26 UTC 11 Dec 2025, 14:41:39 UTC Error while computing 255.82 42.36 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580448 549890 11 Dec 2025, 14:41:46 UTC 11 Dec 2025, 15:47:04 UTC Aborted 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580504 632144 11 Dec 2025, 15:47:14 UTC 11 Dec 2025, 16:05:31 UTC Error while computing 70.88 10.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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