Workunit 31589736

name shp2_A21_A16_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND2694
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:46:41 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
38643120 638078 7 May 2026, 10:46:58 UTC 7 May 2026, 11:05:35 UTC Error while computing 115.16 54.55 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643192 613873 7 May 2026, 11:05:53 UTC 7 May 2026, 11:27:33 UTC Error while computing 203.72 112.72 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643239 523907 7 May 2026, 11:27:57 UTC 7 May 2026, 11:36:11 UTC Error while computing 343.00 257.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643253 631341 7 May 2026, 11:36:19 UTC 7 May 2026, 12:07:11 UTC Error while computing 185.98 60.72 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643302 549890 7 May 2026, 12:07:31 UTC 7 May 2026, 14:50:25 UTC Error while computing 76.73 50.42 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643485 648066 7 May 2026, 14:50:44 UTC 7 May 2026, 17:36:07 UTC Error while computing 149.28 103.77 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643694 622440 7 May 2026, 17:36:11 UTC 7 May 2026, 21:56:55 UTC Error while computing 126.50 64.84 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643877 638757 7 May 2026, 21:56:57 UTC 7 May 2026, 22:01:48 UTC Error while computing 192.62 104.36 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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