Workunit 31545240

name JNK1_A28_A21_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND3288
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 14:33:01 UTC
minimum quorum 1
initial replication 1
max # of error/total/success tasks 7, 10, 6
Task
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StatusRun time
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CreditApplication
38580413 647882 11 Dec 2025, 14:33:10 UTC 12 Dec 2025, 17:41:26 UTC Aborted 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581940 628466 12 Dec 2025, 17:41:32 UTC 13 Dec 2025, 12:06:37 UTC Aborted 51,271.01 39,236.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582797 618313 13 Dec 2025, 12:06:46 UTC 13 Dec 2025, 13:36:20 UTC Error while computing 3,258.90 2,304.69 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582866 505468 13 Dec 2025, 13:36:30 UTC 13 Dec 2025, 22:43:35 UTC Aborted 3,757.19 3,668.64 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583220 604231 13 Dec 2025, 22:43:41 UTC 14 Dec 2025, 3:31:40 UTC Error while computing 16,220.17 16,220.17 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583386 637171 14 Dec 2025, 3:31:47 UTC 14 Dec 2025, 15:07:19 UTC Aborted 8,626.38 2,305.29 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583740 644950 14 Dec 2025, 15:07:24 UTC 19 Dec 2025, 15:07:24 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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