Workunit 31589662

name shp2_A12_A26_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND6809
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:39:32 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
38643043 643524 7 May 2026, 10:40:12 UTC 7 May 2026, 12:47:58 UTC Error while computing 1,633.74 1,337.77 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643349 606178 7 May 2026, 12:48:09 UTC 7 May 2026, 15:45:27 UTC Error while computing 10,570.69 10,570.69 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643572 618582 7 May 2026, 15:45:42 UTC 7 May 2026, 16:15:45 UTC Error while computing 406.18 304.59 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643605 622440 7 May 2026, 16:15:58 UTC 7 May 2026, 20:37:47 UTC Error while computing 2,668.54 2,638.23 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643838 613630 7 May 2026, 20:37:58 UTC 7 May 2026, 23:26:00 UTC Error while computing 2,064.27 1,709.98 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643943 593616 7 May 2026, 23:26:11 UTC 8 May 2026, 1:01:12 UTC Error while computing 3,192.04 3,182.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644005 640535 8 May 2026, 1:01:20 UTC 8 May 2026, 6:19:17 UTC Error while computing 10,672.25 8,457.75 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644155 618217 8 May 2026, 6:19:29 UTC 8 May 2026, 7:55:33 UTC Error while computing 3,912.19 3,834.77 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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