Workunit 31544998

name JNK1_A04_A12_r2_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND9747
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:11:37 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
38579644 442069 11 Dec 2025, 13:11:42 UTC 11 Dec 2025, 13:27:02 UTC Error while computing 76.97 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579903 611154 11 Dec 2025, 13:27:08 UTC 11 Dec 2025, 13:30:31 UTC Error while computing 50.69 5.16 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579939 617833 11 Dec 2025, 13:30:40 UTC 11 Dec 2025, 13:34:45 UTC Error while computing 104.00 19.78 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579976 640195 11 Dec 2025, 13:34:53 UTC 11 Dec 2025, 16:25:55 UTC Error while computing 156.96 26.67 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580669 642995 11 Dec 2025, 16:26:04 UTC 11 Dec 2025, 16:34:59 UTC Error while computing 228.18 33.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580691 635639 11 Dec 2025, 16:35:03 UTC 11 Dec 2025, 16:57:49 UTC Error while computing 102.56 35.23 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580699 638259 11 Dec 2025, 16:57:52 UTC 11 Dec 2025, 18:04:14 UTC Error while computing 177.95 15.22 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580716 646794 11 Dec 2025, 18:04:29 UTC 11 Dec 2025, 19:46:39 UTC Error while computing 125.01 17.84 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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