Workunit 31589739

name shp2_A21_A16_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5922
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:46:50 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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38643123 638078 7 May 2026, 10:46:58 UTC 7 May 2026, 11:05:35 UTC Error while computing 108.89 52.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643195 652482 7 May 2026, 11:05:57 UTC 7 May 2026, 11:13:11 UTC Error while computing 247.46 95.53 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643210 472232 7 May 2026, 11:13:20 UTC 7 May 2026, 11:19:27 UTC Error while computing 271.61 104.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643224 651494 7 May 2026, 11:19:38 UTC 7 May 2026, 11:23:51 UTC Error while computing 157.85 106.10 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643231 607579 7 May 2026, 11:24:06 UTC 7 May 2026, 11:28:33 UTC Error while computing 139.68 70.72 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643240 648916 7 May 2026, 11:28:47 UTC 8 May 2026, 13:58:08 UTC Error while computing 59.94 32.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644356 648534 8 May 2026, 13:58:11 UTC 8 May 2026, 14:01:48 UTC Error while computing 109.30 41.94 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644359 613630 8 May 2026, 14:01:52 UTC 8 May 2026, 14:13:31 UTC Error while computing 126.50 43.42 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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