Workunit 31545001

name JNK1_A09_A37_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND9720
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:11:56 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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38579647 611154 11 Dec 2025, 13:12:04 UTC 11 Dec 2025, 13:15:11 UTC Error while computing 58.96 10.21 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579684 625581 11 Dec 2025, 13:15:18 UTC 11 Dec 2025, 13:22:28 UTC Error while computing 56.46 12.07 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579829 537426 11 Dec 2025, 13:22:34 UTC 11 Dec 2025, 13:25:34 UTC Error while computing 77.48 14.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579884 594224 11 Dec 2025, 13:25:41 UTC 11 Dec 2025, 13:30:13 UTC Error while computing 243.23 33.30 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579936 549890 11 Dec 2025, 13:30:24 UTC 11 Dec 2025, 13:32:40 UTC Error while computing 81.13 28.04 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579955 521288 11 Dec 2025, 13:32:48 UTC 11 Dec 2025, 13:35:37 UTC Error while computing 82.75 11.67 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579989 605313 11 Dec 2025, 13:35:49 UTC 11 Dec 2025, 13:45:45 UTC Error while computing 98.14 15.30 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580063 637171 11 Dec 2025, 13:45:53 UTC 11 Dec 2025, 13:47:59 UTC Error while computing 44.83 1.40 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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