Workunit 31585289

name tnks2_A18_A26_r0_4-QUICO_ATM_OpenFF23_NAGL_tnks2-0-6-RND1451
application ATM: Free energy calculations of protein-ligand binding
created 29 Apr 2026, 14:24:34 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
38637216 642902 29 Apr 2026, 14:28:03 UTC 29 Apr 2026, 14:32:58 UTC Error while computing 105.67 37.13 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38637290 615648 29 Apr 2026, 14:33:03 UTC 29 Apr 2026, 15:03:57 UTC Error while computing 183.39 112.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38637344 637595 29 Apr 2026, 15:04:03 UTC 29 Apr 2026, 21:06:06 UTC Error while computing 89.03 76.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38637811 648126 29 Apr 2026, 21:06:18 UTC 29 Apr 2026, 23:34:24 UTC Error while computing 65.16 41.47 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38638009 617107 29 Apr 2026, 23:34:44 UTC 30 Apr 2026, 15:09:40 UTC Error while computing 480.74 145.20 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38639141 646098 30 Apr 2026, 15:09:52 UTC 30 Apr 2026, 23:54:30 UTC Error while computing 309.72 186.80 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38639700 648534 30 Apr 2026, 23:54:46 UTC 1 May 2026, 0:45:45 UTC Error while computing 75.00 12.78 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38639752 642312 1 May 2026, 0:46:00 UTC 6 May 2026, 0:46:00 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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