Workunit 31575193

name cdk8_A07_A15_r0_5-QUICO_ATM_OpenFF23_NAGL_cdk8-0-6-RND9780
application ATM: Free energy calculations of protein-ligand binding
created 23 Apr 2026, 8:39:47 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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CreditApplication
38624853 593616 23 Apr 2026, 8:39:58 UTC 23 Apr 2026, 8:44:10 UTC Error while computing 112.55 32.14 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38624896 648432 23 Apr 2026, 8:44:18 UTC 23 Apr 2026, 8:48:10 UTC Error while computing 97.28 31.81 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38624938 646260 23 Apr 2026, 8:48:20 UTC 28 Apr 2026, 8:48:33 UTC Not started by deadline - canceled 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38634661 649435 28 Apr 2026, 8:48:28 UTC 29 Apr 2026, 7:29:37 UTC Error while computing 114.59 58.67 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38636571 651994 29 Apr 2026, 7:29:53 UTC 30 Apr 2026, 1:40:49 UTC Error while computing 246.75 237.66 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38638146 637552 30 Apr 2026, 1:41:05 UTC 30 Apr 2026, 3:31:36 UTC Error while computing 96.25 45.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38638250 639028 30 Apr 2026, 3:31:51 UTC 30 Apr 2026, 8:18:32 UTC Error while computing 107.74 69.61 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38638598 652187 30 Apr 2026, 8:18:48 UTC 30 Apr 2026, 9:09:54 UTC Error while computing 351.19 193.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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