Workunit 31589614

name shp2_A07_A06_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND8588
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:34:51 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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38642993 651032 7 May 2026, 10:34:58 UTC 7 May 2026, 10:47:44 UTC Error while computing 625.83 335.95 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643135 650754 7 May 2026, 10:48:04 UTC 7 May 2026, 16:25:07 UTC Error while computing 69.34 1.59 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643617 650701 7 May 2026, 16:25:14 UTC 7 May 2026, 16:30:13 UTC Error while computing 161.37 97.67 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643623 631341 7 May 2026, 16:30:21 UTC 7 May 2026, 16:43:01 UTC Error while computing 299.89 121.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643640 642834 7 May 2026, 16:43:08 UTC 7 May 2026, 17:07:33 UTC Error while computing 487.10 346.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643662 598374 7 May 2026, 17:07:37 UTC 8 May 2026, 7:50:49 UTC Error while computing 1,446.66 1,132.70 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644212 619022 8 May 2026, 7:50:56 UTC 8 May 2026, 8:18:33 UTC Error while computing 713.70 629.56 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644223 604216 8 May 2026, 8:18:40 UTC 8 May 2026, 21:55:05 UTC Error while computing 115.87 65.73 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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