Workunit 31545079

name JNK1_A25_A31_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND2207
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:19:17 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
38579763 630601 11 Dec 2025, 13:19:22 UTC 12 Dec 2025, 5:04:32 UTC Error while computing 145.12 11.73 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580896 647677 12 Dec 2025, 5:04:37 UTC 12 Dec 2025, 5:17:01 UTC Error while computing 141.58 18.36 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580902 642425 12 Dec 2025, 5:17:16 UTC 12 Dec 2025, 6:23:47 UTC Error while computing 55.61 2.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580919 611154 12 Dec 2025, 6:23:57 UTC 12 Dec 2025, 6:32:13 UTC Error while computing 53.74 4.43 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580921 643627 12 Dec 2025, 6:32:21 UTC 12 Dec 2025, 7:25:53 UTC Error while computing 100.97 11.16 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580941 648006 12 Dec 2025, 7:26:00 UTC 12 Dec 2025, 8:12:25 UTC Error while computing 99.55 30.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580947 625455 12 Dec 2025, 8:12:31 UTC 12 Dec 2025, 8:16:00 UTC Error while computing 117.00 10.94 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580950 628467 12 Dec 2025, 8:16:06 UTC 12 Dec 2025, 8:22:55 UTC Error while computing 133.50 23.23 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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