Workunit 31589599

name shp2_A03_A13_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND6938
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:33:21 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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38642978 550955 7 May 2026, 10:33:32 UTC 7 May 2026, 10:39:13 UTC Error while computing 93.68 2.17 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643038 422479 7 May 2026, 10:39:19 UTC 7 May 2026, 13:49:25 UTC Error while computing 11,242.05 11,242.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643424 156955 7 May 2026, 13:49:32 UTC 7 May 2026, 16:45:00 UTC Error while computing 1,286.69 1,117.42 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643641 618582 7 May 2026, 16:45:09 UTC 7 May 2026, 18:01:49 UTC Error while computing 3,887.69 3,606.20 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643720 650215 7 May 2026, 18:02:02 UTC 7 May 2026, 18:19:52 UTC Error while computing 427.25 381.30 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643739 528842 7 May 2026, 18:20:03 UTC 7 May 2026, 19:52:28 UTC Error while computing 5,394.47 4,772.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643812 648916 7 May 2026, 19:52:37 UTC 8 May 2026, 16:58:12 UTC Error while computing 9,109.91 9,109.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644450 638240 8 May 2026, 16:58:22 UTC 8 May 2026, 21:59:42 UTC Error while computing 14,947.61 14,947.61 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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