Workunit 31589762

name shp2_A26_A17_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND3213
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:49:08 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
38643150 607849 7 May 2026, 10:49:27 UTC 7 May 2026, 11:52:55 UTC Error while computing 3,655.74 3,378.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643282 642776 7 May 2026, 11:53:17 UTC 7 May 2026, 12:00:50 UTC Error while computing 270.06 144.84 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643289 561090 7 May 2026, 12:01:03 UTC 10 May 2026, 16:26:37 UTC Error while computing 7.80 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644926 647736 10 May 2026, 16:26:44 UTC 10 May 2026, 17:15:43 UTC Error while computing 2,018.98 1,961.29 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644931 604216 10 May 2026, 17:15:51 UTC 10 May 2026, 17:44:10 UTC Error while computing 1,549.17 1,453.47 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644934 647027 10 May 2026, 17:44:15 UTC 12 May 2026, 2:49:58 UTC Error while computing 401.03 190.64 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645053 601046 12 May 2026, 2:50:01 UTC 12 May 2026, 3:05:11 UTC Error while computing 780.47 658.81 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645054 628466 12 May 2026, 3:05:23 UTC 12 May 2026, 4:00:53 UTC Error while computing 1,791.65 1,352.94 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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