Workunit 31589725

name shp2_A21_A06_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND8475
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:45:44 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
38643109 651963 7 May 2026, 10:45:47 UTC 7 May 2026, 11:19:47 UTC Error while computing 692.96 644.47 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643226 629577 7 May 2026, 11:19:58 UTC 7 May 2026, 11:24:07 UTC Error while computing 174.50 122.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643232 640923 7 May 2026, 11:24:12 UTC 7 May 2026, 11:45:13 UTC Error while computing 370.45 319.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643265 650208 7 May 2026, 11:45:28 UTC 7 May 2026, 11:49:58 UTC Error while computing 154.26 116.34 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643279 637552 7 May 2026, 11:50:09 UTC 7 May 2026, 12:05:48 UTC Error while computing 652.92 147.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643301 621335 7 May 2026, 12:05:56 UTC 7 May 2026, 12:17:56 UTC Error while computing 628.46 431.72 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643319 637595 7 May 2026, 12:18:05 UTC 7 May 2026, 14:36:03 UTC Error while computing 133.45 113.49 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643466 549890 7 May 2026, 14:36:12 UTC 7 May 2026, 15:01:52 UTC Error while computing 473.94 473.94 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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