Workunit 31589757

name shp2_A25_A16_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND0441
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:48:35 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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38643145 619581 7 May 2026, 10:48:43 UTC 7 May 2026, 12:43:30 UTC Error while computing 6,540.65 6,517.54 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643344 640529 7 May 2026, 12:43:47 UTC 7 May 2026, 13:04:02 UTC Error while computing 1,088.14 1,049.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643373 627976 7 May 2026, 13:04:10 UTC 7 May 2026, 13:50:14 UTC Error while computing 655.78 561.03 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643426 618779 7 May 2026, 13:50:19 UTC 7 May 2026, 13:58:31 UTC Error while computing 276.70 276.70 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643441 623170 7 May 2026, 13:58:44 UTC 8 May 2026, 0:30:35 UTC Error while computing 4,200.11 4,181.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643981 652385 8 May 2026, 0:30:50 UTC 8 May 2026, 1:00:57 UTC Error while computing 1,250.32 947.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644004 618813 8 May 2026, 1:01:04 UTC 8 May 2026, 1:33:25 UTC Error while computing 1,750.96 1,743.89 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644025 623027 8 May 2026, 1:33:35 UTC 8 May 2026, 1:46:10 UTC Error while computing 647.13 614.37 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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