Workunit 31544999

name JNK1_A04_A12_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND5722
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:11:43 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
38579645 611154 11 Dec 2025, 13:11:47 UTC 11 Dec 2025, 13:14:05 UTC Error while computing 49.77 4.99 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579671 457130 11 Dec 2025, 13:14:12 UTC 11 Dec 2025, 13:26:11 UTC Error while computing 162.88 19.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579889 637171 11 Dec 2025, 13:26:14 UTC 11 Dec 2025, 13:32:28 UTC Error while computing 49.94 6.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579953 198644 11 Dec 2025, 13:32:39 UTC 11 Dec 2025, 13:37:12 UTC Error while computing 93.29 15.81 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579998 637617 11 Dec 2025, 13:37:18 UTC 11 Dec 2025, 13:39:52 UTC Error while computing 73.70 4.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580016 484079 11 Dec 2025, 13:40:00 UTC 11 Dec 2025, 14:00:51 UTC Error while computing 231.97 18.69 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580156 598432 11 Dec 2025, 14:01:00 UTC 11 Dec 2025, 14:18:55 UTC Error while computing 91.77 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580237 598559 11 Dec 2025, 14:18:59 UTC 11 Dec 2025, 14:28:30 UTC Error while computing 69.93 29.56 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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