Workunit 31589688

name shp2_A20_A03_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND3743
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:41:59 UTC
minimum quorum 1
initial replication 1
max # of error/total/success tasks 7, 10, 6
errors Too many errors (may have bug)
Task
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StatusRun time
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CPU time
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CreditApplication
38643070 651954 7 May 2026, 10:42:07 UTC 8 May 2026, 10:11:24 UTC Error while computing 4,622.09 4,622.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644269 611392 8 May 2026, 10:11:27 UTC 10 May 2026, 16:00:01 UTC Error while computing 6,900.10 6,449.77 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644922 646363 10 May 2026, 16:00:11 UTC 11 May 2026, 1:55:34 UTC Error while computing 28,291.70 28,291.70 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644969 630874 11 May 2026, 1:55:40 UTC 11 May 2026, 3:49:01 UTC Error while computing 6,057.32 5,800.22 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644974 506550 11 May 2026, 3:49:13 UTC 11 May 2026, 6:08:03 UTC Error while computing 6,566.58 6,566.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644981 652526 11 May 2026, 6:08:12 UTC 11 May 2026, 6:47:42 UTC Error while computing 2,370.00 3,630.10 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644985 618719 11 May 2026, 6:47:57 UTC 11 May 2026, 8:05:52 UTC Error while computing 1,564.33 1,090.83 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644987 638240 11 May 2026, 8:06:00 UTC 11 May 2026, 8:36:15 UTC Error while computing 865.96 731.83 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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