Workunit 31585290

name tnks2_A18_A26_r0_5-QUICO_ATM_OpenFF23_NAGL_tnks2-0-6-RND1731
application ATM: Free energy calculations of protein-ligand binding
created 29 Apr 2026, 14:24:37 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
38637217 598759 29 Apr 2026, 14:25:12 UTC 29 Apr 2026, 14:58:58 UTC Error while computing 36.34 0.86 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38637335 591088 29 Apr 2026, 14:59:17 UTC 4 May 2026, 15:00:16 UTC Not started by deadline - canceled 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38642066 615524 4 May 2026, 14:59:23 UTC 4 May 2026, 15:04:21 UTC Error while computing 138.69 66.94 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38642068 638259 4 May 2026, 15:04:34 UTC 4 May 2026, 15:24:37 UTC Error while computing 507.42 347.89 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38642076 622623 4 May 2026, 15:24:44 UTC 4 May 2026, 16:11:00 UTC Error while computing 233.41 83.78 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38642082 650754 4 May 2026, 16:11:12 UTC 5 May 2026, 1:44:24 UTC Error while computing 92.89 32.95 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38642130 652155 5 May 2026, 1:44:36 UTC 5 May 2026, 2:27:49 UTC Error while computing 506.20 192.52 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38642131 616787 5 May 2026, 2:28:05 UTC 5 May 2026, 2:31:28 UTC Error while computing 97.56 68.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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