Workunit 31589724

name shp2_A20_A23_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND1894
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:45:25 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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38643108 650843 7 May 2026, 10:45:33 UTC 7 May 2026, 14:42:51 UTC Error while computing 104.44 33.88 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643476 643627 7 May 2026, 14:42:58 UTC 7 May 2026, 14:53:31 UTC Error while computing 547.85 466.80 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643490 643718 7 May 2026, 14:53:39 UTC 7 May 2026, 15:07:13 UTC Error while computing 120.31 60.03 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643514 639838 7 May 2026, 15:07:26 UTC 7 May 2026, 16:03:33 UTC Error while computing 2,491.13 2,361.89 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643598 611154 7 May 2026, 16:03:42 UTC 7 May 2026, 21:42:05 UTC Error while computing 2,193.92 2,193.92 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643868 637552 7 May 2026, 21:42:13 UTC 8 May 2026, 3:47:46 UTC Error while computing 21,447.57 16,595.66 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644096 628466 8 May 2026, 3:47:53 UTC 8 May 2026, 4:01:29 UTC Error while computing 261.05 121.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644101 604231 8 May 2026, 4:01:35 UTC 8 May 2026, 4:50:01 UTC Error while computing 1,603.50 1,603.50 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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