Workunit 31585343

name tnks2_A26_A08_r0_3-QUICO_ATM_OpenFF23_NAGL_tnks2-0-6-RND6678
application ATM: Free energy calculations of protein-ligand binding
created 29 Apr 2026, 14:27:44 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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StatusRun time
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CPU time
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CreditApplication
38637273 609950 29 Apr 2026, 14:31:52 UTC 29 Apr 2026, 16:29:04 UTC Error while computing 221.13 140.67 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38637462 598759 29 Apr 2026, 16:29:14 UTC 29 Apr 2026, 16:31:50 UTC Error while computing 36.12 0.85 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38637465 611060 29 Apr 2026, 16:32:01 UTC 30 Apr 2026, 4:56:27 UTC Error while computing 154.63 57.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38638359 642172 30 Apr 2026, 4:56:40 UTC 30 Apr 2026, 5:00:43 UTC Error while computing 141.65 14.11 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38638366 612984 30 Apr 2026, 5:00:55 UTC 30 Apr 2026, 5:18:15 UTC Error while computing 164.53 99.22 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38638381 644263 30 Apr 2026, 5:18:21 UTC 30 Apr 2026, 5:23:43 UTC Error while computing 198.47 1.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38638395 642860 30 Apr 2026, 5:23:51 UTC 30 Apr 2026, 13:52:42 UTC Error while computing 138.64 69.80 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38639040 627850 30 Apr 2026, 13:52:56 UTC 30 Apr 2026, 23:56:57 UTC Error while computing 137.08 68.50 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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