Workunit 31577436

name cdk8_A31_A23_r0_3-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND4368
application ATM: Free energy calculations of protein-ligand binding
created 24 Apr 2026, 11:54:20 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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38627453 652262 24 Apr 2026, 12:09:27 UTC 24 Apr 2026, 12:23:04 UTC Error while computing 32.23 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38627576 625965 24 Apr 2026, 12:23:50 UTC 24 Apr 2026, 13:51:00 UTC Error while computing 39.70 7.42 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38627869 650215 24 Apr 2026, 13:51:18 UTC 24 Apr 2026, 19:19:51 UTC Error while computing 72.15 6.66 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38628500 652220 24 Apr 2026, 19:20:03 UTC 24 Apr 2026, 19:23:28 UTC Error while computing 81.53 10.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38628504 648183 24 Apr 2026, 19:23:48 UTC 24 Apr 2026, 19:31:51 UTC Error while computing 60.47 8.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38628521 651517 24 Apr 2026, 19:31:58 UTC 24 Apr 2026, 21:04:49 UTC Error while computing 83.79 4.68 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38628698 610687 24 Apr 2026, 21:04:55 UTC 24 Apr 2026, 21:37:52 UTC Error while computing 91.47 22.17 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38628754 637639 24 Apr 2026, 21:38:18 UTC 25 Apr 2026, 0:30:18 UTC Error while computing 147.27 0.71 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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