Workunit 31589706

name shp2_A20_A14_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND1527
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:44:01 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
38643089 649902 7 May 2026, 10:44:09 UTC 7 May 2026, 11:36:09 UTC Error while computing 2,723.19 2,723.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643252 631341 7 May 2026, 11:36:19 UTC 7 May 2026, 12:44:55 UTC Error while computing 2,238.83 2,056.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643346 649718 7 May 2026, 12:45:05 UTC 7 May 2026, 12:51:50 UTC Error while computing 317.04 241.14 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643358 637595 7 May 2026, 12:52:03 UTC 7 May 2026, 14:59:50 UTC Error while computing 1,582.99 1,582.99 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643501 648916 7 May 2026, 15:00:06 UTC 8 May 2026, 14:29:40 UTC Error while computing 916.43 915.82 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644385 596137 8 May 2026, 14:29:43 UTC 9 May 2026, 14:02:02 UTC Error while computing 7,169.15 6,982.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644768 503617 9 May 2026, 14:02:04 UTC 11 May 2026, 0:22:28 UTC Error while computing 5,811.79 5,811.79 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644966 506550 11 May 2026, 0:22:33 UTC 11 May 2026, 1:11:27 UTC Error while computing 1,464.61 1,464.61 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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