Workunit 31589748

name shp2_A22_A13_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND1086
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:47:43 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
38643134 650754 7 May 2026, 10:48:04 UTC 7 May 2026, 16:25:07 UTC Error while computing 69.23 1.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643619 650701 7 May 2026, 16:25:14 UTC 7 May 2026, 17:42:20 UTC Error while computing 1,609.48 1,401.33 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643702 638123 7 May 2026, 17:42:24 UTC 7 May 2026, 23:34:14 UTC Error while computing 13,452.75 13,292.98 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643952 611154 7 May 2026, 23:34:22 UTC 8 May 2026, 0:51:56 UTC Error while computing 362.74 335.40 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644000 562192 8 May 2026, 0:52:05 UTC 8 May 2026, 2:20:49 UTC Error while computing 4,745.17 4,745.17 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644055 651345 8 May 2026, 2:20:57 UTC 8 May 2026, 4:35:04 UTC Error while computing 1,403.17 1,403.17 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644114 651330 8 May 2026, 4:35:09 UTC 8 May 2026, 5:40:39 UTC Error while computing 78.99 66.96 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644140 628119 8 May 2026, 5:40:46 UTC 8 May 2026, 7:21:35 UTC Error while computing 424.14 298.64 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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