Workunit 31589617

name shp2_A07_A06_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND7072
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:35:02 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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38642996 631132 7 May 2026, 10:35:19 UTC 7 May 2026, 13:52:37 UTC Error while computing 179.29 89.73 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643431 604231 7 May 2026, 13:52:56 UTC 7 May 2026, 13:57:54 UTC Error while computing 135.14 40.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643440 638061 7 May 2026, 13:57:56 UTC 7 May 2026, 18:00:09 UTC Error while computing 563.17 471.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643716 652398 7 May 2026, 18:00:18 UTC 7 May 2026, 18:22:01 UTC Error while computing 195.91 111.53 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643744 627976 7 May 2026, 18:22:09 UTC 7 May 2026, 18:31:51 UTC Error while computing 337.35 255.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643751 642492 7 May 2026, 18:32:01 UTC 7 May 2026, 19:24:50 UTC Error while computing 101.60 50.59 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643790 616003 7 May 2026, 19:25:02 UTC 8 May 2026, 6:14:53 UTC Error while computing 238.95 165.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644153 648534 8 May 2026, 6:15:02 UTC 8 May 2026, 8:20:21 UTC Error while computing 270.58 207.14 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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