Workunit 31545057

name JNK1_A20_A33_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND9313
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:17:18 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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38579723 607149 11 Dec 2025, 13:17:25 UTC 11 Dec 2025, 13:20:18 UTC Error while computing 95.88 15.33 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579783 642515 11 Dec 2025, 13:20:23 UTC 11 Dec 2025, 13:33:30 UTC Error while computing 62.41 10.59 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579968 611154 11 Dec 2025, 13:33:37 UTC 11 Dec 2025, 13:37:56 UTC Error while computing 83.47 5.18 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580003 637171 11 Dec 2025, 13:38:06 UTC 11 Dec 2025, 13:40:44 UTC Error while computing 47.94 7.74 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580025 646980 11 Dec 2025, 13:40:55 UTC 11 Dec 2025, 13:47:33 UTC Error while computing 159.10 3.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580082 550807 11 Dec 2025, 13:47:44 UTC 11 Dec 2025, 14:07:37 UTC Error while computing 178.24 28.30 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580188 638417 11 Dec 2025, 14:07:46 UTC 11 Dec 2025, 16:01:15 UTC Error while computing 144.77 15.47 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580518 626482 11 Dec 2025, 16:01:21 UTC 11 Dec 2025, 18:38:13 UTC Error while computing 42.51 4.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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