Workunit 31589729

name shp2_A21_A06_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9440
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:45:59 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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38643113 477993 7 May 2026, 10:46:02 UTC 7 May 2026, 11:16:33 UTC Error while computing 1,515.59 961.59 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643214 625677 7 May 2026, 11:16:44 UTC 7 May 2026, 11:47:30 UTC Error while computing 124.39 0.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643272 625283 7 May 2026, 11:47:43 UTC 7 May 2026, 14:45:17 UTC Error while computing 135.12 112.56 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643480 598759 7 May 2026, 14:45:27 UTC 7 May 2026, 14:58:34 UTC Error while computing 125.21 88.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643498 613630 7 May 2026, 14:58:43 UTC 7 May 2026, 15:29:45 UTC Error while computing 263.71 162.75 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643542 594998 7 May 2026, 15:29:55 UTC 7 May 2026, 15:35:13 UTC Error while computing 113.91 54.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643559 626010 7 May 2026, 15:35:20 UTC 7 May 2026, 15:47:10 UTC Error while computing 462.63 438.52 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643575 652460 7 May 2026, 15:47:20 UTC 7 May 2026, 16:19:35 UTC Error while computing 585.76 537.59 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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