Workunit 31589604

name shp2_A04_A02_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND3947
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:33:50 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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38642983 651330 7 May 2026, 10:33:57 UTC 7 May 2026, 19:00:38 UTC Error while computing 4,337.10 4,337.10 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643768 609961 7 May 2026, 19:00:46 UTC 8 May 2026, 0:07:13 UTC Error while computing 1,532.75 1,348.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643972 651274 8 May 2026, 0:07:26 UTC 8 May 2026, 3:09:50 UTC Error while computing 3,149.07 3,018.31 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644081 613630 8 May 2026, 3:10:01 UTC 8 May 2026, 6:39:42 UTC Error while computing 1,795.06 1,477.03 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644171 649996 8 May 2026, 6:39:51 UTC 8 May 2026, 7:32:25 UTC Error while computing 3,122.27 3,122.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644204 611392 8 May 2026, 7:32:33 UTC 9 May 2026, 16:02:07 UTC Error while computing 22,354.59 21,572.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644791 639028 9 May 2026, 16:02:14 UTC 9 May 2026, 16:25:04 UTC Error while computing 981.73 948.81 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644795 649902 9 May 2026, 16:25:12 UTC 9 May 2026, 16:47:58 UTC Error while computing 1,155.65 1,155.65 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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