Workunit 31545004

name JNK1_A09_A37_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND5125
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:12:14 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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38579650 637595 11 Dec 2025, 13:12:22 UTC 11 Dec 2025, 13:16:03 UTC Error while computing 47.91 15.46 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579699 503617 11 Dec 2025, 13:16:12 UTC 11 Dec 2025, 13:19:14 UTC Error while computing 89.21 26.42 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579762 637171 11 Dec 2025, 13:19:18 UTC 11 Dec 2025, 13:23:07 UTC Error while computing 46.80 10.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579849 632144 11 Dec 2025, 13:23:12 UTC 11 Dec 2025, 13:35:23 UTC Error while computing 67.10 1.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579983 594224 11 Dec 2025, 13:35:33 UTC 11 Dec 2025, 13:40:18 UTC Error while computing 233.03 30.67 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580018 506550 11 Dec 2025, 13:40:28 UTC 11 Dec 2025, 13:46:59 UTC Error while computing 114.30 14.11 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580076 643721 11 Dec 2025, 13:47:08 UTC 12 Dec 2025, 5:03:18 UTC Error while computing 116.22 17.84 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580894 505468 12 Dec 2025, 5:03:22 UTC 12 Dec 2025, 6:37:51 UTC Error while computing 185.35 31.59 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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