Workunit 31545122

name JNK1_A38_A37_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND6833
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:23:11 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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38579850 647571 11 Dec 2025, 13:23:17 UTC 16 Dec 2025, 13:23:17 UTC Timed out - no response 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38584082 643181 16 Dec 2025, 13:23:28 UTC 16 Dec 2025, 13:26:39 UTC Error while computing 85.72 11.31 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38584087 504243 16 Dec 2025, 13:26:47 UTC 16 Dec 2025, 13:42:48 UTC Error while computing 805.34 40.52 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38584104 638290 16 Dec 2025, 13:42:56 UTC 16 Dec 2025, 13:49:02 UTC Error while computing 105.26 16.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38584117 635604 16 Dec 2025, 13:49:10 UTC 16 Dec 2025, 13:50:41 UTC Error while computing 70.05 17.93 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38584119 549890 16 Dec 2025, 13:51:05 UTC 16 Dec 2025, 13:53:29 UTC Error while computing 65.15 19.18 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38584123 647550 16 Dec 2025, 13:53:39 UTC 16 Dec 2025, 14:04:42 UTC Error while computing 566.62 39.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38584132 611696 16 Dec 2025, 14:04:51 UTC 16 Dec 2025, 14:33:25 UTC Error while computing 60.50 1.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38584174 472232 16 Dec 2025, 14:33:41 UTC 16 Dec 2025, 14:40:09 UTC Error while computing 238.04 30.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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