Workunit 31549159

name shp2_A17_A09_r0_1-QUICO_ATM_GAFF2_LOMAP_SHP2-0-6-RND9232
application ATM: Free energy calculations of protein-ligand binding
created 12 Jan 2026, 14:50:20 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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StatusRun time
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CPU time
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CreditApplication
38586858 648916 12 Jan 2026, 14:50:29 UTC 13 Jan 2026, 5:49:12 UTC Error while computing 13,084.77 13,084.77 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38588128 569442 13 Jan 2026, 5:49:20 UTC 14 Jan 2026, 3:23:24 UTC Error while computing 35,998.37 35,863.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38589231 641248 14 Jan 2026, 3:23:29 UTC 16 Jan 2026, 2:52:43 UTC Error while computing 43,969.38 43,969.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38590378 549134 16 Jan 2026, 2:52:56 UTC 16 Jan 2026, 3:04:04 UTC Error while computing 542.08 442.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38590382 643569 16 Jan 2026, 3:04:16 UTC 16 Jan 2026, 14:59:54 UTC Error while computing 6.05 0.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38590598 627530 16 Jan 2026, 15:00:00 UTC 21 Jan 2026, 19:21:46 UTC Error while computing 328.43 115.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38592615 640087 21 Jan 2026, 15:00:08 UTC 21 Jan 2026, 22:14:24 UTC Error while computing 48.95 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38592695 639495 21 Jan 2026, 22:14:29 UTC 22 Jan 2026, 2:00:19 UTC Error while computing 9,065.45 9,065.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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