Workunit 31589620

name shp2_A07_A24_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5238
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:35:24 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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38642999 651274 7 May 2026, 10:35:31 UTC 7 May 2026, 10:51:30 UTC Error while computing 383.86 292.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643164 573558 7 May 2026, 10:51:51 UTC 7 May 2026, 10:57:27 UTC Error while computing 196.00 138.13 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643172 604216 7 May 2026, 10:57:40 UTC 8 May 2026, 0:35:10 UTC Error while computing 176.94 109.81 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643987 611154 8 May 2026, 0:35:20 UTC 8 May 2026, 7:04:11 UTC Error while computing 199.36 167.26 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644184 549890 8 May 2026, 7:04:17 UTC 8 May 2026, 7:22:23 UTC Error while computing 128.60 94.32 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644196 650754 8 May 2026, 7:22:28 UTC 8 May 2026, 12:02:12 UTC Error while computing 551.78 499.69 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644309 598310 8 May 2026, 12:02:18 UTC 8 May 2026, 12:16:41 UTC Error while computing 756.95 662.92 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644313 652184 8 May 2026, 12:16:49 UTC 8 May 2026, 12:47:12 UTC Error while computing 163.46 129.51 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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