Workunit 31589637

name shp2_A09_A08_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND7471
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:36:56 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
38643016 652492 7 May 2026, 10:37:01 UTC 7 May 2026, 10:52:18 UTC Error while computing 481.76 463.49 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643165 648521 7 May 2026, 10:52:27 UTC 7 May 2026, 10:57:33 UTC Error while computing 233.36 159.47 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643173 573558 7 May 2026, 10:57:44 UTC 7 May 2026, 11:05:10 UTC Error while computing 294.76 227.56 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643191 535048 7 May 2026, 11:05:21 UTC 7 May 2026, 11:10:27 UTC Error while computing 267.80 178.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643205 550955 7 May 2026, 11:10:37 UTC 7 May 2026, 11:21:35 UTC Error while computing 329.52 280.69 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643228 613730 7 May 2026, 11:21:45 UTC 7 May 2026, 11:26:11 UTC Error while computing 179.80 144.59 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643236 645725 7 May 2026, 11:26:20 UTC 8 May 2026, 1:45:59 UTC Error while computing 248.50 221.65 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644035 642621 8 May 2026, 1:46:06 UTC 8 May 2026, 2:14:56 UTC Error while computing 402.75 247.73 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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