Workunit 31545090

name JNK1_A27_A37_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND0098
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:20:16 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
38579782 642515 11 Dec 2025, 13:20:23 UTC 11 Dec 2025, 13:33:30 UTC Error while computing 60.51 10.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579970 643393 11 Dec 2025, 13:33:42 UTC 11 Dec 2025, 20:12:56 UTC Error while computing 166.09 20.86 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580744 549890 11 Dec 2025, 20:13:01 UTC 11 Dec 2025, 22:55:59 UTC Aborted 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580809 618582 11 Dec 2025, 22:56:05 UTC 11 Dec 2025, 23:07:24 UTC Error while computing 114.42 18.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580811 644401 11 Dec 2025, 23:07:34 UTC 11 Dec 2025, 23:54:57 UTC Error while computing 111.82 31.88 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580831 506550 11 Dec 2025, 23:55:01 UTC 12 Dec 2025, 0:02:24 UTC Error while computing 108.88 17.84 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580832 641807 12 Dec 2025, 0:02:33 UTC 12 Dec 2025, 16:36:03 UTC Error while computing 42.50 19.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38581868 614860 12 Dec 2025, 16:36:15 UTC 12 Dec 2025, 16:59:49 UTC Error while computing 324.94 34.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38581891 622140 12 Dec 2025, 16:59:56 UTC 12 Dec 2025, 17:06:09 UTC Error while computing 272.88 35.81 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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