Workunit 31553236

name MCL1_A41_A06_r0_3-QUICO_ATM_GAFF2_NAGL_MCL1-0-6-RND1351
application ATM: Free energy calculations of protein-ligand binding
created 8 Apr 2026, 7:46:04 UTC
minimum quorum 1
initial replication 1
max # of error/total/success tasks 7, 10, 6
errors Too many errors (may have bug)
Task
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StatusRun time
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CPU time
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CreditApplication
38597333 593958 8 Apr 2026, 8:02:58 UTC 8 Apr 2026, 8:07:26 UTC Error while computing 112.73 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38597822 505468 8 Apr 2026, 8:30:51 UTC 8 Apr 2026, 8:40:18 UTC Error while computing 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38597997 617857 8 Apr 2026, 9:10:53 UTC 8 Apr 2026, 9:17:51 UTC Error while computing 124.58 0.03 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598282 647492 8 Apr 2026, 9:25:49 UTC 8 Apr 2026, 9:46:38 UTC Error while computing 71.62 1.47 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598426 610183 8 Apr 2026, 9:50:24 UTC 8 Apr 2026, 9:52:58 UTC Error while computing 36.30 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598449 648465 8 Apr 2026, 9:53:44 UTC 8 Apr 2026, 9:58:07 UTC Error while computing 51.55 6.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38598468 489629 8 Apr 2026, 9:58:21 UTC 8 Apr 2026, 10:02:09 UTC Error while computing 151.33 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598489 619836 8 Apr 2026, 10:02:17 UTC 8 Apr 2026, 10:04:59 UTC Error while computing 75.72 0.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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