Workunit 31589680

name shp2_A18_A04_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4512
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:41:18 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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CPU time
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CreditApplication
38643061 550955 7 May 2026, 10:41:24 UTC 7 May 2026, 10:47:14 UTC Error while computing 133.97 2.03 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643127 637552 7 May 2026, 10:47:24 UTC 7 May 2026, 11:02:56 UTC Error while computing 187.77 34.24 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643185 648521 7 May 2026, 11:03:04 UTC 7 May 2026, 11:14:37 UTC Error while computing 563.94 503.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643212 652396 7 May 2026, 11:14:50 UTC 7 May 2026, 11:46:58 UTC Error while computing 287.48 157.22 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643269 614877 7 May 2026, 11:47:04 UTC 7 May 2026, 23:30:04 UTC Error while computing 1,088.83 978.03 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643947 638240 7 May 2026, 23:30:14 UTC 8 May 2026, 8:05:38 UTC Error while computing 22,048.72 21,948.78 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644218 617833 8 May 2026, 8:05:43 UTC 8 May 2026, 9:00:47 UTC Error while computing 1,581.28 1,538.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644239 506550 8 May 2026, 9:00:55 UTC 8 May 2026, 11:28:05 UTC Error while computing 2,657.27 2,657.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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