Workunit 31577394

name cdk8_A26_A32_r0_2-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND8823
application ATM: Free energy calculations of protein-ligand binding
created 24 Apr 2026, 11:51:17 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
38627409 628812 24 Apr 2026, 12:01:48 UTC 24 Apr 2026, 16:23:01 UTC Error while computing 1,282.98 1,282.98 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38628151 647216 24 Apr 2026, 16:23:16 UTC 24 Apr 2026, 23:19:17 UTC Error while computing 819.75 819.75 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38628920 648916 24 Apr 2026, 23:19:50 UTC 26 Apr 2026, 8:20:05 UTC Error while computing 3,241.16 3,241.16 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38632155 602633 26 Apr 2026, 8:20:15 UTC 28 Apr 2026, 10:19:51 UTC Error while computing 1,518.49 1,518.49 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38634725 505468 28 Apr 2026, 10:19:57 UTC 28 Apr 2026, 13:28:00 UTC Error while computing 1,071.95 1,061.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38635527 652183 28 Apr 2026, 13:28:08 UTC 28 Apr 2026, 14:13:13 UTC Error while computing 1,233.25 1,060.59 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38635565 651975 28 Apr 2026, 14:13:27 UTC 29 Apr 2026, 5:54:49 UTC Error while computing 1,197.22 1,052.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38636481 641718 29 Apr 2026, 5:54:55 UTC 30 Apr 2026, 8:06:43 UTC Error while computing 2,591.70 2,386.14 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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