Workunit 31589663

name shp2_A12_A26_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND8353
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:39:35 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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38643044 549890 7 May 2026, 10:39:46 UTC 7 May 2026, 14:24:16 UTC Error while computing 11,814.53 11,814.53 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643453 624761 7 May 2026, 14:24:23 UTC 7 May 2026, 14:50:52 UTC Error while computing 1,494.35 1,340.85 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643486 595504 7 May 2026, 14:51:11 UTC 7 May 2026, 15:37:43 UTC Error while computing 2,590.39 2,378.30 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643565 535048 7 May 2026, 15:37:52 UTC 7 May 2026, 18:00:38 UTC Error while computing 8,466.45 8,373.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643717 637171 7 May 2026, 18:00:54 UTC 8 May 2026, 1:19:23 UTC Error while computing 9,353.90 9,353.90 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644017 611154 8 May 2026, 1:19:35 UTC 8 May 2026, 10:49:23 UTC Error while computing 12,760.78 12,760.78 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644287 652086 8 May 2026, 10:49:33 UTC 9 May 2026, 1:32:13 UTC Error while computing 8,320.09 7,875.70 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644616 649564 9 May 2026, 1:32:20 UTC 9 May 2026, 1:36:13 UTC Error while computing 34.19 0.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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