Workunit 31589747

name shp2_A22_A13_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND6535
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:47:40 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
38643133 650754 7 May 2026, 10:48:04 UTC 7 May 2026, 16:25:07 UTC Error while computing 68.72 1.61 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643618 650701 7 May 2026, 16:25:14 UTC 7 May 2026, 17:14:53 UTC Error while computing 2,662.94 2,409.94 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643668 550955 7 May 2026, 17:14:59 UTC 8 May 2026, 6:31:43 UTC Error while computing 19,118.38 19,118.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644166 637171 8 May 2026, 6:31:55 UTC 8 May 2026, 13:05:14 UTC Error while computing 2,573.68 2,573.68 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644328 651345 8 May 2026, 13:05:21 UTC 8 May 2026, 13:58:29 UTC Error while computing 238.18 208.80 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644357 619022 8 May 2026, 13:58:31 UTC 8 May 2026, 14:57:59 UTC Error while computing 2,628.44 2,628.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644399 648916 8 May 2026, 14:58:08 UTC 8 May 2026, 17:38:43 UTC Error while computing 959.48 957.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644467 557889 8 May 2026, 17:38:52 UTC 9 May 2026, 0:47:06 UTC Error while computing 5,199.48 5,138.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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