Workunit 31577236

name cdk8_A07_A15_r0_4-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND9843
application ATM: Free energy calculations of protein-ligand binding
created 24 Apr 2026, 11:36:29 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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38627231 638919 24 Apr 2026, 11:36:38 UTC 24 Apr 2026, 11:41:38 UTC Error while computing 120.28 96.21 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38627300 505468 24 Apr 2026, 12:10:20 UTC 25 Apr 2026, 1:11:22 UTC Error while computing 108.90 45.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38629121 602597 25 Apr 2026, 1:11:26 UTC 25 Apr 2026, 1:15:11 UTC Error while computing 128.92 16.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38629126 652159 25 Apr 2026, 1:15:34 UTC 25 Apr 2026, 4:52:27 UTC Error while computing 204.56 79.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38629512 619022 25 Apr 2026, 4:52:45 UTC 25 Apr 2026, 14:41:23 UTC Error while computing 175.85 92.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38630601 629577 25 Apr 2026, 14:41:31 UTC 25 Apr 2026, 16:14:22 UTC Error while computing 83.88 28.92 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38630785 649510 25 Apr 2026, 16:14:32 UTC 25 Apr 2026, 16:19:08 UTC Error while computing 64.34 29.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38630792 652285 25 Apr 2026, 16:19:24 UTC 25 Apr 2026, 21:13:00 UTC Error while computing 77.27 46.42 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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