Workunit 31589593

name shp2_A01_A05_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9440
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:32:36 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
38642972 612984 7 May 2026, 10:32:46 UTC 7 May 2026, 14:43:43 UTC Error while computing 14,139.75 13,799.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643478 637595 7 May 2026, 14:44:02 UTC 7 May 2026, 15:36:06 UTC Error while computing 1,703.91 1,703.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643562 640708 7 May 2026, 15:36:20 UTC 7 May 2026, 16:35:56 UTC Error while computing 3,366.28 3,366.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643628 648286 7 May 2026, 16:36:00 UTC 7 May 2026, 16:41:11 UTC Error while computing 188.78 106.75 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643637 630730 7 May 2026, 16:41:15 UTC 8 May 2026, 4:48:49 UTC Error while computing 476.73 439.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644120 634391 8 May 2026, 4:48:58 UTC 8 May 2026, 21:10:29 UTC Error while computing 7,846.36 7,846.36 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644535 652391 8 May 2026, 21:10:38 UTC 8 May 2026, 21:12:41 UTC Error while computing 19.13 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644537 569442 8 May 2026, 21:12:51 UTC 9 May 2026, 17:14:36 UTC Error while computing 10,644.01 10,572.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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