Workunit 31545125

name JNK1_A38_A37_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND0392
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:23:26 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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38579854 596137 11 Dec 2025, 13:23:37 UTC 11 Dec 2025, 13:32:17 UTC Error while computing 152.46 16.88 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579951 637171 11 Dec 2025, 13:32:28 UTC 11 Dec 2025, 13:36:32 UTC Error while computing 47.88 9.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579997 641268 11 Dec 2025, 13:36:42 UTC 16 Dec 2025, 13:37:02 UTC Not started by deadline - canceled 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38584095 621860 16 Dec 2025, 13:36:49 UTC 16 Dec 2025, 13:41:59 UTC Error while computing 55.34 9.46 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38584103 549890 16 Dec 2025, 13:42:05 UTC 16 Dec 2025, 13:43:44 UTC Error while computing 69.14 18.94 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38584107 635604 16 Dec 2025, 13:43:53 UTC 16 Dec 2025, 13:45:26 UTC Error while computing 67.07 20.04 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38584110 642995 16 Dec 2025, 13:45:34 UTC 16 Dec 2025, 13:54:57 UTC Error while computing 245.43 34.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38584125 631621 16 Dec 2025, 13:55:08 UTC 16 Dec 2025, 14:00:40 UTC Error while computing 102.75 6.31 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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