Workunit 31589687

name shp2_A20_A03_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9611
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:41:56 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
38643069 649517 7 May 2026, 10:42:04 UTC 7 May 2026, 18:32:49 UTC Error while computing 5,911.87 5,743.66 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643752 650754 7 May 2026, 18:33:00 UTC 7 May 2026, 18:44:51 UTC Error while computing 551.77 496.80 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643760 549890 7 May 2026, 18:45:02 UTC 7 May 2026, 20:54:51 UTC Error while computing 5,728.43 5,728.43 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643845 603512 7 May 2026, 20:55:04 UTC 7 May 2026, 22:17:56 UTC Error while computing 4,837.92 4,752.33 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643895 580989 7 May 2026, 22:18:00 UTC 8 May 2026, 5:22:25 UTC Error while computing 10,075.44 10,075.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644132 630874 8 May 2026, 5:22:34 UTC 8 May 2026, 6:26:06 UTC Error while computing 3,516.62 3,403.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644163 651964 8 May 2026, 6:26:11 UTC 8 May 2026, 6:32:36 UTC Error while computing 257.34 222.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644167 651345 8 May 2026, 6:33:00 UTC 8 May 2026, 10:05:21 UTC Error while computing 1,692.80 1,692.80 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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