Workunit 31577233

name cdk8_A07_A15_r0_1-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND2626
application ATM: Free energy calculations of protein-ligand binding
created 24 Apr 2026, 11:36:18 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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38627228 640529 24 Apr 2026, 11:36:41 UTC 25 Apr 2026, 6:43:36 UTC Error while computing 120.55 64.67 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38629698 637639 25 Apr 2026, 6:43:44 UTC 25 Apr 2026, 6:50:34 UTC Error while computing 286.86 172.32 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38629708 637552 25 Apr 2026, 6:50:40 UTC 25 Apr 2026, 9:41:24 UTC Error while computing 73.51 39.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38630024 652276 25 Apr 2026, 9:41:32 UTC 25 Apr 2026, 9:51:02 UTC Error while computing 49.32 27.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38630040 651954 25 Apr 2026, 9:51:15 UTC 25 Apr 2026, 12:29:24 UTC Error while computing 203.07 52.56 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38630354 637171 25 Apr 2026, 12:29:34 UTC 25 Apr 2026, 19:01:30 UTC Error while computing 170.95 137.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38631055 645220 25 Apr 2026, 19:01:37 UTC 25 Apr 2026, 19:08:37 UTC Error while computing 185.45 63.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38631071 649517 25 Apr 2026, 19:08:52 UTC 25 Apr 2026, 19:13:10 UTC Error while computing 144.24 42.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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