Workunit 31589608

name shp2_A04_A02_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND6293
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:34:08 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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38642987 637595 7 May 2026, 10:34:20 UTC 7 May 2026, 14:28:06 UTC Error while computing 211.68 211.68 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643456 637171 7 May 2026, 14:28:12 UTC 7 May 2026, 17:53:01 UTC Error while computing 1,855.29 1,855.29 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643711 642344 7 May 2026, 17:53:09 UTC 8 May 2026, 2:45:26 UTC Error while computing 13,325.41 13,325.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644068 613630 8 May 2026, 2:45:31 UTC 8 May 2026, 6:36:30 UTC Error while computing 13,569.26 11,688.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644168 624761 8 May 2026, 6:36:36 UTC 8 May 2026, 8:01:36 UTC Error while computing 4,974.80 4,686.30 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644217 140908 8 May 2026, 8:01:44 UTC 8 May 2026, 9:42:22 UTC Error while computing 5,939.83 5,938.17 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644258 648534 8 May 2026, 9:42:31 UTC 8 May 2026, 10:37:22 UTC Error while computing 3,098.68 3,056.23 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644282 642776 8 May 2026, 10:37:33 UTC 8 May 2026, 11:01:53 UTC Error while computing 1,297.16 1,244.95 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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