Workunit 31589594

name shp2_A01_A13_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND6696
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:32:53 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
38642973 631341 7 May 2026, 10:33:01 UTC 7 May 2026, 10:58:10 UTC Error while computing 247.53 117.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643175 641615 7 May 2026, 10:58:20 UTC 7 May 2026, 11:13:23 UTC Error while computing 773.22 382.86 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643211 651807 7 May 2026, 11:13:35 UTC 7 May 2026, 14:23:50 UTC Error while computing 11,132.81 11,039.86 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643452 649352 7 May 2026, 14:23:54 UTC 7 May 2026, 14:51:24 UTC Error while computing 1,527.97 1,109.16 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643487 641455 7 May 2026, 14:51:38 UTC 8 May 2026, 0:21:09 UTC Error while computing 19,619.64 13,773.73 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643977 625441 8 May 2026, 0:21:19 UTC 8 May 2026, 11:20:37 UTC Error while computing 106.20 96.53 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644297 619022 8 May 2026, 11:20:43 UTC 8 May 2026, 14:12:31 UTC Error while computing 7,911.57 7,868.98 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644369 648066 8 May 2026, 14:12:36 UTC 9 May 2026, 4:35:36 UTC Error while computing 6,032.14 6,032.14 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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