Workunit 31589722

name shp2_A20_A23_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND6209
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:45:18 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
38643106 639329 7 May 2026, 10:45:23 UTC 8 May 2026, 14:00:48 UTC Error while computing 3,017.25 2,871.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644358 503617 8 May 2026, 14:00:52 UTC 10 May 2026, 16:23:21 UTC Error while computing 1,410.84 1,355.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644925 631105 10 May 2026, 16:23:29 UTC 10 May 2026, 16:52:12 UTC Error while computing 716.83 248.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644929 400693 10 May 2026, 16:52:20 UTC 12 May 2026, 23:50:29 UTC Error while computing 47,699.00 46,925.13 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645118 619022 12 May 2026, 23:50:37 UTC 13 May 2026, 1:33:44 UTC Error while computing 795.76 467.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645129 643689 13 May 2026, 1:33:55 UTC 13 May 2026, 21:22:27 UTC Error while computing 1,232.49 1,196.52 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645176 652450 13 May 2026, 21:22:39 UTC 13 May 2026, 22:43:43 UTC Error while computing 38.38 30.34 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645178 652266 13 May 2026, 22:43:51 UTC 14 May 2026, 0:24:56 UTC Error while computing 5,957.86 5,662.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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