Workunit 31589699

name shp2_A20_A11_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND0211
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:43:25 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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CreditApplication
38643081 618180 7 May 2026, 10:43:38 UTC 7 May 2026, 14:33:56 UTC Error while computing 13,705.10 30.89 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643461 649816 7 May 2026, 14:34:10 UTC 7 May 2026, 14:36:21 UTC Error while computing 52.23 19.76 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643467 603872 7 May 2026, 14:36:30 UTC 7 May 2026, 17:58:09 UTC Error while computing 11,847.62 10,979.03 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643715 624761 7 May 2026, 17:58:17 UTC 7 May 2026, 18:13:39 UTC Error while computing 814.48 652.87 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643728 642172 7 May 2026, 18:13:48 UTC 7 May 2026, 20:01:14 UTC Error while computing 6,363.91 6,363.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643821 650754 7 May 2026, 20:01:20 UTC 7 May 2026, 20:17:00 UTC Error while computing 882.07 863.22 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643830 640055 7 May 2026, 20:17:07 UTC 8 May 2026, 8:48:10 UTC Error while computing 108.21 80.98 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644234 637171 8 May 2026, 8:48:14 UTC 8 May 2026, 13:47:08 UTC Error while computing 506.44 478.90 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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