Workunit 31589606

name shp2_A04_A02_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5346
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:33:58 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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38642985 637595 7 May 2026, 10:34:20 UTC 7 May 2026, 14:16:01 UTC Error while computing 5,809.93 5,809.93 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643447 608932 7 May 2026, 14:16:06 UTC 7 May 2026, 15:28:58 UTC Error while computing 4,252.84 4,252.84 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643541 631341 7 May 2026, 15:29:17 UTC 7 May 2026, 15:53:30 UTC Error while computing 309.26 193.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643586 628466 7 May 2026, 15:53:39 UTC 7 May 2026, 16:31:02 UTC Error while computing 411.48 270.33 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643624 618582 7 May 2026, 16:31:12 UTC 7 May 2026, 19:47:02 UTC Error while computing 10,367.99 10,025.42 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643807 648066 7 May 2026, 19:47:10 UTC 8 May 2026, 6:37:10 UTC Error while computing 4,559.66 4,559.66 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644169 549890 8 May 2026, 6:37:19 UTC 8 May 2026, 6:57:04 UTC Error while computing 318.04 307.04 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644183 651346 8 May 2026, 6:57:21 UTC 8 May 2026, 7:35:08 UTC Error while computing 947.35 825.11 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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