Workunit 31589607

name shp2_A04_A02_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9104
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:34:03 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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38642986 637595 7 May 2026, 10:34:20 UTC 7 May 2026, 14:25:32 UTC Error while computing 685.36 685.36 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643454 652497 7 May 2026, 14:25:40 UTC 7 May 2026, 14:40:25 UTC Error while computing 757.15 677.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643472 610949 7 May 2026, 14:40:33 UTC 7 May 2026, 15:04:16 UTC Error while computing 1,321.06 1,128.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643511 649902 7 May 2026, 15:04:24 UTC 7 May 2026, 16:23:31 UTC Error while computing 4,704.97 4,704.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643614 156955 7 May 2026, 16:23:37 UTC 7 May 2026, 18:41:41 UTC Error while computing 5,939.30 5,682.80 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643759 648066 7 May 2026, 18:41:54 UTC 8 May 2026, 5:20:54 UTC Error while computing 9,265.54 9,265.54 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644128 604231 8 May 2026, 5:21:08 UTC 8 May 2026, 10:11:41 UTC Error while computing 2,727.48 2,727.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644270 630949 8 May 2026, 10:11:47 UTC 8 May 2026, 12:09:09 UTC Error while computing 6,611.20 6,611.20 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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