Workunit 31589702

name shp2_A20_A11_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4861
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:43:35 UTC
minimum quorum 1
initial replication 1
max # of error/total/success tasks 7, 10, 6
Task
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ComputerSentTime reported
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StatusRun time
(sec)
CPU time
(sec)
CreditApplication
38643084 632099 7 May 2026, 10:43:44 UTC 7 May 2026, 11:00:10 UTC Error while computing 885.30 840.83 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643180 652086 7 May 2026, 11:00:17 UTC 8 May 2026, 23:12:49 UTC Error while computing 8,458.69 7,918.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644583 650215 8 May 2026, 23:12:54 UTC 9 May 2026, 5:34:26 UTC Error while computing 435.12 394.16 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644674 625602 9 May 2026, 5:34:33 UTC 10 May 2026, 2:15:48 UTC Error while computing 1,164.92 1,153.66 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644839 651346 10 May 2026, 2:15:56 UTC 10 May 2026, 2:16:29 UTC Aborted 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644840 631047 10 May 2026, 2:16:37 UTC 10 May 2026, 3:30:30 UTC Error while computing 3,563.00 2,727.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644842 623027 10 May 2026, 3:30:37 UTC 10 May 2026, 3:54:53 UTC Error while computing 1,352.36 1,345.60 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644843 588349 10 May 2026, 3:55:05 UTC 15 May 2026, 3:55:05 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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