Workunit 31589738

name shp2_A21_A16_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4459
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:46:48 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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38643122 638078 7 May 2026, 10:46:58 UTC 7 May 2026, 11:05:35 UTC Error while computing 116.99 62.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643194 648094 7 May 2026, 11:05:53 UTC 7 May 2026, 20:03:53 UTC Error while computing 67.87 24.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643824 506550 7 May 2026, 20:04:00 UTC 7 May 2026, 22:12:23 UTC Error while computing 152.48 65.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643889 630638 7 May 2026, 22:12:29 UTC 7 May 2026, 22:31:12 UTC Error while computing 65.33 31.26 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643903 637171 7 May 2026, 22:31:19 UTC 8 May 2026, 1:22:51 UTC Error while computing 202.58 167.95 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644019 580417 8 May 2026, 1:22:59 UTC 8 May 2026, 1:27:20 UTC Error while computing 126.63 54.73 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644023 616003 8 May 2026, 1:27:30 UTC 8 May 2026, 6:21:38 UTC Error while computing 108.71 32.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644157 611392 8 May 2026, 6:21:46 UTC 8 May 2026, 6:24:43 UTC Error while computing 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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