Workunit 31553608

name PTP1B_A14_A03_r0_5-QUICO_ATM_GAFF2_NAGL_PTP1B-0-6-RND9557
application ATM: Free energy calculations of protein-ligand binding
created 8 Apr 2026, 7:59:09 UTC
canonical result 38598502
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
(sec)
CreditApplication
38597733 505468 8 Apr 2026, 8:28:06 UTC 8 Apr 2026, 9:04:00 UTC Abandoned 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598181 619836 8 Apr 2026, 9:07:51 UTC 8 Apr 2026, 9:11:14 UTC Error while computing 77.69 0.03 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598257 649637 8 Apr 2026, 9:17:56 UTC 8 Apr 2026, 9:30:29 UTC Error while computing 153.94 0.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598351 610183 8 Apr 2026, 9:30:59 UTC 8 Apr 2026, 9:33:44 UTC Error while computing 34.28 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598366 650361 8 Apr 2026, 9:41:59 UTC 8 Apr 2026, 9:53:35 UTC Error while computing 40.28 1.87 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38598450 648465 8 Apr 2026, 9:53:44 UTC 8 Apr 2026, 9:58:07 UTC Error while computing 54.86 7.67 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38598469 617857 8 Apr 2026, 9:58:20 UTC 8 Apr 2026, 10:04:36 UTC Error while computing 103.05 0.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598502 565402 8 Apr 2026, 10:04:51 UTC 8 Apr 2026, 20:07:51 UTC Completed and validated 8,624.80 8,624.80 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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