Workunit 31589713

name shp2_A20_A15_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9524
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:44:33 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
38643096 648066 7 May 2026, 10:44:40 UTC 7 May 2026, 14:38:50 UTC Error while computing 9,596.52 9,596.52 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643470 604231 7 May 2026, 14:38:58 UTC 7 May 2026, 17:48:06 UTC Error while computing 1,241.81 1,241.81 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643706 645421 7 May 2026, 17:48:13 UTC 7 May 2026, 17:54:33 UTC Error while computing 271.88 181.33 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643712 645017 7 May 2026, 17:54:45 UTC 7 May 2026, 18:46:56 UTC Error while computing 2,534.20 2,534.20 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643762 649720 7 May 2026, 18:47:13 UTC 7 May 2026, 22:28:11 UTC Error while computing 11,909.41 11,907.14 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643900 624457 7 May 2026, 22:28:14 UTC 8 May 2026, 1:38:41 UTC Error while computing 11,319.70 11,235.78 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644029 649650 8 May 2026, 1:38:51 UTC 8 May 2026, 3:24:40 UTC Error while computing 3,631.39 3,631.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644084 648094 8 May 2026, 3:24:50 UTC 8 May 2026, 12:15:51 UTC Error while computing 509.06 483.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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