Workunit 31589665

name shp2_A14_A09_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND3982
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:39:51 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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CreditApplication
38643046 541853 7 May 2026, 10:40:01 UTC 7 May 2026, 10:57:45 UTC Error while computing 866.17 756.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643174 535048 7 May 2026, 10:57:52 UTC 7 May 2026, 11:08:13 UTC Error while computing 496.51 417.34 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643199 648967 7 May 2026, 11:08:22 UTC 7 May 2026, 11:17:44 UTC Error while computing 487.68 417.86 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643219 640624 7 May 2026, 11:17:55 UTC 7 May 2026, 16:32:52 UTC Error while computing 8,935.05 8,935.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643626 626715 7 May 2026, 16:33:03 UTC 7 May 2026, 17:29:43 UTC Error while computing 2,652.10 2,536.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643684 622440 7 May 2026, 17:29:46 UTC 7 May 2026, 21:55:07 UTC Error while computing 952.81 897.22 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643876 640733 7 May 2026, 21:55:16 UTC 7 May 2026, 22:11:13 UTC Error while computing 444.88 386.22 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643888 643237 7 May 2026, 22:11:18 UTC 7 May 2026, 22:13:41 UTC Error while computing 67.93 0.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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