Workunit 31589627

name shp2_A08_A02_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND2590
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:35:59 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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38643006 573760 7 May 2026, 10:36:11 UTC 7 May 2026, 11:27:31 UTC Error while computing 583.35 453.67 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643238 579678 7 May 2026, 11:27:44 UTC 7 May 2026, 12:17:10 UTC Error while computing 247.89 196.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643318 626962 7 May 2026, 12:17:19 UTC 7 May 2026, 12:27:03 UTC Error while computing 502.86 472.84 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643329 642776 7 May 2026, 12:27:13 UTC 7 May 2026, 12:40:19 UTC Error while computing 559.61 428.13 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643342 613873 7 May 2026, 12:40:26 UTC 7 May 2026, 12:57:57 UTC Error while computing 197.29 112.56 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643364 631341 7 May 2026, 12:58:09 UTC 7 May 2026, 13:33:11 UTC Error while computing 481.77 343.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643405 625602 7 May 2026, 13:33:16 UTC 8 May 2026, 17:19:45 UTC Error while computing 636.54 612.26 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644461 604231 8 May 2026, 17:19:50 UTC 8 May 2026, 17:29:20 UTC Error while computing 331.08 331.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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