Workunit 31589701

name shp2_A20_A11_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9224
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:43:32 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
38643083 618180 7 May 2026, 10:43:38 UTC 7 May 2026, 15:58:39 UTC Error while computing 135.43 19.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643593 646261 7 May 2026, 15:58:44 UTC 7 May 2026, 17:34:40 UTC Error while computing 57.38 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643690 645990 7 May 2026, 17:34:43 UTC 7 May 2026, 18:25:13 UTC Error while computing 2,064.25 1,972.55 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643746 619663 7 May 2026, 18:25:22 UTC 12 May 2026, 18:25:29 UTC Not started by deadline - canceled 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645100 562713 12 May 2026, 18:25:31 UTC 13 May 2026, 0:20:40 UTC Error while computing 21,309.00 32,139.31 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645124 156955 13 May 2026, 0:20:43 UTC 13 May 2026, 1:44:41 UTC Error while computing 4,766.01 4,599.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645130 652604 13 May 2026, 1:44:49 UTC 13 May 2026, 1:53:17 UTC Error while computing 278.55 187.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645131 651330 13 May 2026, 1:53:31 UTC 13 May 2026, 2:26:53 UTC Error while computing 997.06 997.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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