Workunit 31589640

name shp2_A10_A23_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND3088
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:37:19 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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38643019 549890 7 May 2026, 10:37:28 UTC 7 May 2026, 11:12:48 UTC Error while computing 210.39 189.60 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643208 649262 7 May 2026, 11:13:01 UTC 7 May 2026, 11:48:52 UTC Error while computing 636.13 561.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643276 641615 7 May 2026, 11:48:58 UTC 7 May 2026, 11:59:53 UTC Error while computing 554.33 184.59 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643287 603512 7 May 2026, 12:00:01 UTC 7 May 2026, 12:05:31 UTC Error while computing 86.76 49.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643299 618086 7 May 2026, 12:05:38 UTC 7 May 2026, 12:11:40 UTC Error while computing 270.44 117.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643308 535048 7 May 2026, 12:11:48 UTC 7 May 2026, 13:06:34 UTC Error while computing 2,962.22 2,732.98 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643378 610900 7 May 2026, 13:06:42 UTC 7 May 2026, 13:10:38 UTC Error while computing 157.27 66.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643384 520417 7 May 2026, 13:10:46 UTC 7 May 2026, 15:14:42 UTC Error while computing 21.00 0.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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