Workunit 31589634

name shp2_A09_A08_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5706
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:36:48 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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38643013 594178 7 May 2026, 10:36:52 UTC 7 May 2026, 11:06:09 UTC Error while computing 1,505.16 1,266.61 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643196 478420 7 May 2026, 11:06:26 UTC 7 May 2026, 11:18:01 UTC Error while computing 567.34 384.36 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643220 573558 7 May 2026, 11:18:10 UTC 7 May 2026, 11:25:46 UTC Error while computing 318.78 247.47 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643235 647196 7 May 2026, 11:25:58 UTC 7 May 2026, 12:23:53 UTC Error while computing 2,719.60 1,939.23 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643325 642764 7 May 2026, 12:24:00 UTC 7 May 2026, 12:31:22 UTC Error while computing 54.71 4.77 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643332 621414 7 May 2026, 12:31:38 UTC 7 May 2026, 16:56:50 UTC Error while computing 749.04 602.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643651 640732 7 May 2026, 16:57:01 UTC 7 May 2026, 17:04:48 UTC Error while computing 353.81 343.95 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643659 605111 7 May 2026, 17:04:58 UTC 7 May 2026, 17:29:35 UTC Error while computing 667.33 628.62 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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