Workunit 31545099

name JNK1_A28_A14_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND6318
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:21:06 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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38579796 626244 11 Dec 2025, 13:21:16 UTC 11 Dec 2025, 13:25:07 UTC Error while computing 68.68 17.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579873 637171 11 Dec 2025, 13:25:13 UTC 11 Dec 2025, 13:29:53 UTC Error while computing 41.76 2.74 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579933 595174 11 Dec 2025, 13:30:02 UTC 11 Dec 2025, 13:44:45 UTC Error while computing 63.44 2.29 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580056 645087 11 Dec 2025, 13:44:53 UTC 11 Dec 2025, 13:48:46 UTC Error while computing 96.07 9.92 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580090 597727 11 Dec 2025, 13:48:53 UTC 11 Dec 2025, 13:53:58 UTC Error while computing 122.82 27.20 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580121 632144 11 Dec 2025, 13:54:05 UTC 11 Dec 2025, 13:56:51 UTC Error while computing 66.61 1.52 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580136 546970 11 Dec 2025, 13:57:01 UTC 11 Dec 2025, 14:32:02 UTC Error while computing 109.54 20.88 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580396 618813 11 Dec 2025, 14:32:09 UTC 11 Dec 2025, 14:44:50 UTC Error while computing 126.55 23.78 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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