Workunit 31545014

name JNK1_A14_A09_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND6291
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:13:08 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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38579660 503617 11 Dec 2025, 13:13:13 UTC 11 Dec 2025, 13:17:11 UTC Error while computing 91.47 27.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579721 626244 11 Dec 2025, 13:17:18 UTC 11 Dec 2025, 13:21:16 UTC Error while computing 71.70 18.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579799 494387 11 Dec 2025, 13:21:25 UTC 11 Dec 2025, 13:27:56 UTC Error while computing 161.26 21.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579916 638061 11 Dec 2025, 13:27:57 UTC 11 Dec 2025, 13:32:43 UTC Error while computing 151.50 24.36 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579957 631624 11 Dec 2025, 13:32:52 UTC 11 Dec 2025, 14:08:19 UTC Error while computing 91.48 11.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580195 637171 11 Dec 2025, 14:08:25 UTC 11 Dec 2025, 14:11:12 UTC Error while computing 59.53 5.52 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580207 611154 11 Dec 2025, 14:11:18 UTC 11 Dec 2025, 14:14:43 UTC Error while computing 68.14 9.42 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580225 639859 11 Dec 2025, 14:14:51 UTC 12 Dec 2025, 6:11:01 UTC Error while computing 245.40 50.84 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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