Workunit 31589595

name shp2_A01_A13_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND2167
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:32:56 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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38642974 649650 7 May 2026, 10:33:08 UTC 8 May 2026, 0:31:56 UTC Error while computing 7,369.14 7,166.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643983 643443 8 May 2026, 0:32:05 UTC 8 May 2026, 0:46:16 UTC Error while computing 251.19 205.55 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643994 642492 8 May 2026, 0:46:24 UTC 8 May 2026, 3:26:26 UTC Error while computing 2,051.24 1,798.77 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644085 613825 8 May 2026, 3:26:38 UTC 8 May 2026, 16:32:41 UTC Error while computing 446.64 340.11 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644431 637164 8 May 2026, 16:32:51 UTC 8 May 2026, 18:20:14 UTC Error while computing 6,443.00 6,583.94 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644480 652201 8 May 2026, 18:20:23 UTC 9 May 2026, 12:38:30 UTC Error while computing 1,471.35 1,192.14 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644760 634391 9 May 2026, 12:38:39 UTC 9 May 2026, 16:08:44 UTC Error while computing 1,170.70 1,159.50 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644792 619022 9 May 2026, 16:08:53 UTC 9 May 2026, 17:11:19 UTC Error while computing 673.12 560.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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