Workunit 31589641

name shp2_A10_A23_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND0819
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:37:25 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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38643020 620231 7 May 2026, 10:37:34 UTC 7 May 2026, 11:03:41 UTC Error while computing 158.53 94.88 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643186 530887 7 May 2026, 11:03:47 UTC 7 May 2026, 11:07:55 UTC Error while computing 100.08 41.86 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643198 646235 7 May 2026, 11:08:02 UTC 7 May 2026, 11:31:08 UTC Error while computing 70.42 29.92 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643245 639195 7 May 2026, 11:31:20 UTC 7 May 2026, 11:41:15 UTC Error while computing 265.63 85.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643262 550955 7 May 2026, 11:41:27 UTC 7 May 2026, 11:48:58 UTC Error while computing 195.90 132.16 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643277 622440 7 May 2026, 11:49:07 UTC 7 May 2026, 16:58:45 UTC Error while computing 213.76 149.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643653 557889 7 May 2026, 16:58:51 UTC 8 May 2026, 12:14:30 UTC Error while computing 121.32 69.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644312 547066 8 May 2026, 12:14:35 UTC 8 May 2026, 12:33:55 UTC Error while computing 136.27 47.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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