Workunit 31585285

name tnks2_A18_A12_r0_5-QUICO_ATM_OpenFF23_NAGL_tnks2-0-6-RND0318
application ATM: Free energy calculations of protein-ligand binding
created 29 Apr 2026, 14:24:18 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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CreditApplication
38637212 617224 29 Apr 2026, 14:26:41 UTC 29 Apr 2026, 14:31:47 UTC Error while computing 156.57 130.69 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38637289 645162 29 Apr 2026, 14:32:23 UTC 29 Apr 2026, 14:35:35 UTC Error while computing 58.18 30.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38637297 646447 29 Apr 2026, 14:35:46 UTC 29 Apr 2026, 14:47:09 UTC Error while computing 601.71 500.75 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38637321 651946 29 Apr 2026, 14:47:18 UTC 30 Apr 2026, 4:05:48 UTC Error while computing 303.23 211.53 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38638288 618379 30 Apr 2026, 4:05:59 UTC 5 May 2026, 4:06:35 UTC Not started by deadline - canceled 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38642137 618567 5 May 2026, 4:06:09 UTC 5 May 2026, 4:13:15 UTC Error while computing 348.40 205.52 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38642138 649720 5 May 2026, 4:13:27 UTC 5 May 2026, 4:34:22 UTC Error while computing 161.97 99.98 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38642142 651892 5 May 2026, 4:34:34 UTC 5 May 2026, 4:48:31 UTC Error while computing 742.56 634.36 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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