Workunit 31589636

name shp2_A09_A08_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5446
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:36:53 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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38643015 652029 7 May 2026, 10:36:59 UTC 7 May 2026, 10:50:33 UTC Error while computing 359.19 289.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643163 561721 7 May 2026, 10:50:41 UTC 7 May 2026, 11:22:17 UTC Error while computing 382.89 197.84 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643230 650375 7 May 2026, 11:22:27 UTC 7 May 2026, 11:51:05 UTC Error while computing 654.37 605.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643281 549890 7 May 2026, 11:51:13 UTC 7 May 2026, 14:50:25 UTC Error while computing 308.55 305.54 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643483 573558 7 May 2026, 14:50:34 UTC 7 May 2026, 14:57:12 UTC Error while computing 247.50 188.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643497 646677 7 May 2026, 14:57:20 UTC 7 May 2026, 15:22:46 UTC Error while computing 445.83 389.69 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643532 624457 7 May 2026, 15:22:55 UTC 7 May 2026, 15:34:38 UTC Error while computing 620.69 529.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643557 651346 7 May 2026, 15:34:50 UTC 7 May 2026, 23:29:10 UTC Error while computing 338.82 262.47 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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