Workunit 31589760

name shp2_A26_A17_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND0910
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:49:00 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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CreditApplication
38643148 652491 7 May 2026, 10:49:14 UTC 7 May 2026, 13:03:20 UTC Error while computing 6,667.78 6,539.47 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643371 506550 7 May 2026, 13:03:28 UTC 7 May 2026, 14:54:48 UTC Error while computing 1,082.04 1,019.20 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643492 652359 7 May 2026, 14:55:00 UTC 7 May 2026, 19:21:53 UTC Error while computing 2,047.73 2,015.64 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643786 610900 7 May 2026, 19:21:59 UTC 7 May 2026, 21:24:23 UTC Error while computing 7,216.69 6,721.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643856 609605 7 May 2026, 21:24:27 UTC 7 May 2026, 22:28:47 UTC Error while computing 3,717.60 3,683.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643901 628466 7 May 2026, 22:29:00 UTC 8 May 2026, 0:39:01 UTC Error while computing 7,121.57 5,471.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643989 642312 8 May 2026, 0:39:08 UTC 13 May 2026, 1:05:44 UTC Not started by deadline - canceled 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645126 604216 13 May 2026, 0:39:13 UTC 13 May 2026, 11:07:19 UTC Error while computing 6,613.24 6,548.32 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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