Workunit 31577393

name cdk8_A26_A32_r0_1-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND6484
application ATM: Free energy calculations of protein-ligand binding
created 24 Apr 2026, 11:51:12 UTC
canonical result 38638490
granted credit 750,000.00
minimum quorum 1
initial replication 1
max # of error/total/success tasks 7, 10, 6
Task
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StatusRun time
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CPU time
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CreditApplication
38627408 603318 24 Apr 2026, 12:15:33 UTC 25 Apr 2026, 4:49:53 UTC Error while computing 767.88 745.20 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38629510 632099 25 Apr 2026, 4:50:05 UTC 25 Apr 2026, 13:41:36 UTC Error while computing 868.04 847.77 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38630493 652057 25 Apr 2026, 13:41:38 UTC 25 Apr 2026, 13:47:32 UTC Error while computing 146.40 97.64 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38630501 648207 25 Apr 2026, 13:47:39 UTC 25 Apr 2026, 14:21:24 UTC Error while computing 1,937.64 1,594.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38630556 575758 25 Apr 2026, 14:21:31 UTC 28 Apr 2026, 17:58:03 UTC Error while computing 1,924.24 1,911.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38635740 606795 28 Apr 2026, 17:58:14 UTC 30 Apr 2026, 6:42:09 UTC Error while computing 841.09 742.55 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38638490 647736 30 Apr 2026, 6:42:23 UTC 1 May 2026, 1:10:48 UTC Completed and validated 24,453.73 24,133.10 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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