Workunit 31589621

name shp2_A07_A24_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4898
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:35:27 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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38643000 651274 7 May 2026, 10:35:31 UTC 7 May 2026, 10:45:05 UTC Error while computing 290.74 199.86 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643103 648534 7 May 2026, 10:45:11 UTC 7 May 2026, 13:39:10 UTC Error while computing 96.99 33.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643415 604231 7 May 2026, 13:39:17 UTC 7 May 2026, 13:43:51 UTC Error while computing 95.45 47.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643419 637171 7 May 2026, 13:44:07 UTC 7 May 2026, 17:22:35 UTC Error while computing 404.37 374.85 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643678 651345 7 May 2026, 17:22:44 UTC 8 May 2026, 1:04:31 UTC Error while computing 93.84 47.75 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644010 478420 8 May 2026, 1:04:38 UTC 8 May 2026, 1:49:35 UTC Error while computing 450.70 179.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644038 652359 8 May 2026, 1:49:41 UTC 8 May 2026, 1:53:57 UTC Error while computing 134.48 82.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644040 506550 8 May 2026, 1:54:04 UTC 8 May 2026, 2:56:22 UTC Error while computing 548.59 478.72 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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