Workunit 31589631

name shp2_A08_A13_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND7603
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:36:25 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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38643010 638713 7 May 2026, 10:36:31 UTC 7 May 2026, 10:53:36 UTC Error while computing 840.39 657.11 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643169 637551 7 May 2026, 10:53:50 UTC 7 May 2026, 11:34:24 UTC Error while computing 1,654.73 978.85 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643250 630776 7 May 2026, 11:34:32 UTC 7 May 2026, 12:39:34 UTC Error while computing 509.73 509.73 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643339 631624 7 May 2026, 12:40:02 UTC 7 May 2026, 12:58:28 UTC Error while computing 876.77 259.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643365 625507 7 May 2026, 12:58:37 UTC 7 May 2026, 13:23:18 UTC Error while computing 1,380.09 1,118.64 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643399 473086 7 May 2026, 13:23:26 UTC 7 May 2026, 15:51:41 UTC Error while computing 1,670.12 1,444.33 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643581 506550 7 May 2026, 15:51:49 UTC 7 May 2026, 16:54:11 UTC Error while computing 220.94 125.22 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643648 648094 7 May 2026, 16:54:16 UTC 8 May 2026, 1:28:47 UTC Error while computing 225.21 184.70 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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