Workunit 31589707

name shp2_A20_A14_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND7008
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:44:03 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
38643090 649902 7 May 2026, 10:44:09 UTC 7 May 2026, 11:40:03 UTC Error while computing 2,951.49 2,951.49 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643259 626010 7 May 2026, 11:40:14 UTC 7 May 2026, 12:02:38 UTC Error while computing 1,076.73 1,055.70 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643294 604216 7 May 2026, 12:02:45 UTC 8 May 2026, 4:31:21 UTC Error while computing 12,615.97 12,550.26 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644112 549890 8 May 2026, 4:31:26 UTC 8 May 2026, 5:39:01 UTC Error while computing 3,777.93 3,777.93 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644138 639065 8 May 2026, 5:39:10 UTC 13 May 2026, 5:39:10 UTC Timed out - no response 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38645142 400693 13 May 2026, 5:39:26 UTC 13 May 2026, 15:35:34 UTC Error while computing 4,909.92 4,561.22 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645159 642492 13 May 2026, 15:35:42 UTC 13 May 2026, 17:21:55 UTC Error while computing 639.90 560.13 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645168 634518 13 May 2026, 17:21:59 UTC 18 May 2026, 17:21:59 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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