Workunit 31553385

name p38_A27_A28_r0_2-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND3190
application ATM: Free energy calculations of protein-ligand binding
created 8 Apr 2026, 7:51:53 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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CPU time
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CreditApplication
38597493 617857 8 Apr 2026, 8:15:54 UTC 8 Apr 2026, 8:23:14 UTC Error while computing 126.12 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38597913 593958 8 Apr 2026, 8:49:35 UTC 8 Apr 2026, 8:53:32 UTC Error while computing 107.39 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598078 619836 8 Apr 2026, 8:59:13 UTC 8 Apr 2026, 9:01:56 UTC Error while computing 77.72 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598109 615368 8 Apr 2026, 9:04:41 UTC 8 Apr 2026, 9:25:32 UTC Error while computing 568.26 0.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598326 565740 8 Apr 2026, 9:36:50 UTC 8 Apr 2026, 9:59:19 UTC Error while computing 104.35 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598478 610183 8 Apr 2026, 9:59:23 UTC 8 Apr 2026, 10:02:13 UTC Error while computing 46.38 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598490 648092 8 Apr 2026, 10:02:34 UTC 8 Apr 2026, 10:02:51 UTC Aborted 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598497 648465 8 Apr 2026, 10:04:01 UTC 8 Apr 2026, 10:07:30 UTC Error while computing 57.89 19.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38598510 599503 8 Apr 2026, 10:08:05 UTC 9 Apr 2026, 5:17:33 UTC Error while computing 67.28 11.15 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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