Workunit 31589630

name shp2_A08_A13_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9948
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:36:22 UTC
minimum quorum 1
initial replication 1
max # of error/total/success tasks 7, 10, 6
errors Too many errors (may have bug)
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CreditApplication
38643009 614877 7 May 2026, 10:36:26 UTC 7 May 2026, 17:51:01 UTC Error while computing 1,385.98 1,265.20 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643709 622440 7 May 2026, 17:51:09 UTC 7 May 2026, 22:15:00 UTC Error while computing 928.82 874.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643890 618567 7 May 2026, 22:15:03 UTC 7 May 2026, 23:15:33 UTC Error while computing 3,594.95 3,519.16 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643929 616003 7 May 2026, 23:15:39 UTC 8 May 2026, 6:18:46 UTC Error while computing 287.46 210.50 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644154 613630 8 May 2026, 6:18:59 UTC 8 May 2026, 6:46:47 UTC Error while computing 621.38 481.36 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644175 611392 8 May 2026, 6:46:57 UTC 8 May 2026, 7:09:52 UTC Error while computing 997.55 775.59 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644185 651346 8 May 2026, 7:09:56 UTC 8 May 2026, 7:45:03 UTC Error while computing 591.23 501.31 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644210 611154 8 May 2026, 7:45:08 UTC 8 May 2026, 9:30:56 UTC Error while computing 746.43 744.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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