Workunit 31589678

name shp2_A17_A19_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND0834
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:40:59 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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CreditApplication
38643059 648521 7 May 2026, 10:41:07 UTC 7 May 2026, 10:52:27 UTC Error while computing 563.93 470.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643166 549890 7 May 2026, 10:52:40 UTC 7 May 2026, 14:57:10 UTC Error while computing 5,924.21 5,924.21 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643495 605111 7 May 2026, 14:57:19 UTC 7 May 2026, 16:32:17 UTC Error while computing 4,208.87 4,193.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643625 591854 7 May 2026, 16:32:30 UTC 7 May 2026, 17:29:11 UTC Error while computing 3,273.59 3,033.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643683 619022 7 May 2026, 17:29:17 UTC 8 May 2026, 0:57:31 UTC Error while computing 9,910.80 9,910.80 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644002 611154 8 May 2026, 0:57:40 UTC 8 May 2026, 8:17:10 UTC Error while computing 4,532.26 4,532.26 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644222 649902 8 May 2026, 8:17:14 UTC 8 May 2026, 8:42:25 UTC Error while computing 1,419.51 1,419.51 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644233 575758 8 May 2026, 8:42:29 UTC 8 May 2026, 20:47:00 UTC Error while computing 32,358.08 23,815.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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