Workunit 31545118

name JNK1_A34_A12_r2_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND3761
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:22:49 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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38579842 637826 11 Dec 2025, 13:22:52 UTC 11 Dec 2025, 13:26:41 UTC Error while computing 118.49 27.22 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579897 635604 11 Dec 2025, 13:26:42 UTC 11 Dec 2025, 13:28:08 UTC Error while computing 62.81 11.43 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579919 611154 11 Dec 2025, 13:28:17 UTC 11 Dec 2025, 13:31:04 UTC Error while computing 49.59 3.86 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579943 590077 11 Dec 2025, 13:31:12 UTC 11 Dec 2025, 14:24:21 UTC Error while computing 49.14 20.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580272 638757 11 Dec 2025, 14:24:28 UTC 13 Dec 2025, 20:06:03 UTC Error while computing 196.18 23.52 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583131 599048 13 Dec 2025, 20:06:10 UTC 13 Dec 2025, 20:58:48 UTC Error while computing 151.82 22.81 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583156 611943 13 Dec 2025, 20:58:58 UTC 13 Dec 2025, 21:37:02 UTC Error while computing 219.33 25.78 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583174 646816 13 Dec 2025, 21:37:13 UTC 13 Dec 2025, 21:40:01 UTC Error while computing 60.52 10.23 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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