Workunit 31545051

name JNK1_A20_A30_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND0631
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:16:44 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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38579710 611154 11 Dec 2025, 13:16:54 UTC 11 Dec 2025, 13:18:35 UTC Error while computing 54.02 1.57 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579748 644358 11 Dec 2025, 13:18:42 UTC 16 Dec 2025, 13:19:02 UTC Not started by deadline - canceled 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38584076 644265 16 Dec 2025, 13:18:51 UTC 16 Dec 2025, 13:27:42 UTC Error while computing 178.67 15.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38584089 549890 16 Dec 2025, 13:27:51 UTC 16 Dec 2025, 13:30:06 UTC Error while computing 73.97 27.99 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38584092 642439 16 Dec 2025, 13:30:15 UTC 16 Dec 2025, 13:56:33 UTC Error while computing 111.77 12.67 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38584128 646402 16 Dec 2025, 13:56:39 UTC 16 Dec 2025, 14:21:05 UTC Error while computing 108.20 15.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38584145 622440 16 Dec 2025, 14:21:11 UTC 16 Dec 2025, 14:23:10 UTC Error while computing 93.30 7.92 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38584148 589596 16 Dec 2025, 14:23:20 UTC 16 Dec 2025, 16:01:58 UTC Error while computing 496.45 31.80 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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