Workunit 31545092

name JNK1_A27_A38_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND3394
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:20:29 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
38579785 643689 11 Dec 2025, 13:20:32 UTC 11 Dec 2025, 22:11:17 UTC Error while computing 162.13 25.92 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580778 644117 11 Dec 2025, 22:11:24 UTC 12 Dec 2025, 5:03:41 UTC Error while computing 118.43 8.36 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580895 642518 12 Dec 2025, 5:03:49 UTC 12 Dec 2025, 13:59:27 UTC Error while computing 341.40 54.16 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38581735 630720 12 Dec 2025, 13:59:39 UTC 12 Dec 2025, 23:09:48 UTC Error while computing 99.28 9.47 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582197 648006 12 Dec 2025, 23:09:56 UTC 13 Dec 2025, 8:50:46 UTC Aborted 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582643 462662 13 Dec 2025, 8:50:51 UTC 13 Dec 2025, 15:27:57 UTC Error while computing 94.24 30.68 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582943 627975 13 Dec 2025, 15:28:03 UTC 13 Dec 2025, 15:51:53 UTC Error while computing 306.60 23.11 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582958 627777 13 Dec 2025, 15:52:04 UTC 13 Dec 2025, 15:56:42 UTC Error while computing 72.64 8.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582966 625602 13 Dec 2025, 15:56:48 UTC 13 Dec 2025, 16:54:38 UTC Error while computing 71.71 8.99 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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