Workunit 31589733

name shp2_A21_A07_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5540
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:46:21 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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StatusRun time
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CreditApplication
38643117 618419 7 May 2026, 10:46:45 UTC 7 May 2026, 10:58:53 UTC Error while computing 540.01 299.50 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643176 631341 7 May 2026, 10:59:02 UTC 7 May 2026, 11:34:24 UTC Error while computing 419.82 306.64 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643251 549890 7 May 2026, 11:34:33 UTC 7 May 2026, 14:50:25 UTC Error while computing 1,026.00 1,026.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643484 573558 7 May 2026, 14:50:34 UTC 7 May 2026, 15:00:14 UTC Error while computing 95.02 38.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643502 584054 7 May 2026, 15:00:24 UTC 7 May 2026, 17:20:17 UTC Error while computing 519.35 429.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643675 597749 7 May 2026, 17:20:24 UTC 7 May 2026, 18:04:35 UTC Error while computing 422.67 263.56 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643723 629717 7 May 2026, 18:04:44 UTC 7 May 2026, 18:16:53 UTC Error while computing 619.85 503.34 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643731 641304 7 May 2026, 18:17:04 UTC 9 May 2026, 12:13:10 UTC Error while computing 1,170.43 640.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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