Workunit 31589734

name shp2_A21_A07_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND7558
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:46:24 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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CreditApplication
38643118 618419 7 May 2026, 10:46:45 UTC 7 May 2026, 11:04:02 UTC Error while computing 321.44 87.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643187 642286 7 May 2026, 11:04:24 UTC 7 May 2026, 11:38:32 UTC Error while computing 688.74 571.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643256 628831 7 May 2026, 11:39:01 UTC 8 May 2026, 6:27:21 UTC Error while computing 751.39 106.52 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644164 640535 8 May 2026, 6:27:25 UTC 8 May 2026, 6:40:08 UTC Error while computing 444.28 332.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644172 650211 8 May 2026, 6:40:16 UTC 8 May 2026, 7:22:56 UTC Error while computing 2,428.49 2,399.75 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644197 506550 8 May 2026, 7:23:02 UTC 8 May 2026, 9:00:30 UTC Error while computing 410.11 326.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644238 160246 8 May 2026, 9:00:38 UTC 8 May 2026, 9:26:34 UTC Error while computing 32.62 0.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644253 642492 8 May 2026, 9:26:40 UTC 8 May 2026, 9:50:50 UTC Error while computing 525.11 449.34 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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