Workunit 31545105

name JNK1_A28_A21_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND1117
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:21:39 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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CreditApplication
38579810 611154 11 Dec 2025, 13:21:42 UTC 11 Dec 2025, 13:23:44 UTC Error while computing 59.31 5.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579857 174866 11 Dec 2025, 13:23:49 UTC 11 Dec 2025, 14:30:31 UTC Error while computing 623.36 63.80 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580373 635604 11 Dec 2025, 14:30:40 UTC 11 Dec 2025, 14:32:55 UTC Error while computing 66.06 20.99 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580410 641869 11 Dec 2025, 14:33:05 UTC 11 Dec 2025, 15:04:02 UTC Error while computing 174.13 28.61 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580469 612920 11 Dec 2025, 15:04:14 UTC 11 Dec 2025, 22:20:57 UTC Error while computing 110.26 15.89 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580787 558169 11 Dec 2025, 22:21:05 UTC 11 Dec 2025, 22:24:35 UTC Error while computing 117.13 18.17 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580789 625989 11 Dec 2025, 22:24:39 UTC 12 Dec 2025, 2:03:41 UTC Error while computing 114.16 19.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580854 549890 12 Dec 2025, 2:03:51 UTC 12 Dec 2025, 2:18:51 UTC Aborted 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580858 601458 12 Dec 2025, 2:19:02 UTC 12 Dec 2025, 2:24:15 UTC Error while computing 177.65 32.22 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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