Workunit 31545074

name JNK1_A24_A37_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND8477
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:18:50 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
38579751 537426 11 Dec 2025, 13:18:59 UTC 11 Dec 2025, 13:22:34 UTC Error while computing 73.38 21.68 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579836 608883 11 Dec 2025, 13:22:45 UTC 14 Dec 2025, 3:16:09 UTC Error while computing 139.80 139.80 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583382 635604 14 Dec 2025, 3:16:29 UTC 14 Dec 2025, 3:36:45 UTC Error while computing 80.70 16.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583391 648094 14 Dec 2025, 3:36:54 UTC 14 Dec 2025, 9:39:22 UTC Error while computing 112.48 17.16 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583588 630888 14 Dec 2025, 9:39:25 UTC 14 Dec 2025, 9:46:13 UTC Error while computing 83.31 8.56 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583593 590406 14 Dec 2025, 9:46:16 UTC 14 Dec 2025, 9:49:25 UTC Error while computing 67.43 20.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583595 549691 14 Dec 2025, 9:49:34 UTC 14 Dec 2025, 9:53:04 UTC Error while computing 81.78 13.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583597 549890 14 Dec 2025, 9:53:10 UTC 14 Dec 2025, 11:57:02 UTC Aborted 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583646 619022 14 Dec 2025, 11:57:08 UTC 14 Dec 2025, 12:09:19 UTC Error while computing 102.11 9.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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