Workunit 31545103

name JNK1_A28_A21_r2_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND6955
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:21:28 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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38579806 637171 11 Dec 2025, 13:21:37 UTC 11 Dec 2025, 13:26:14 UTC Error while computing 59.34 8.78 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579890 637595 11 Dec 2025, 13:26:19 UTC 11 Dec 2025, 13:28:06 UTC Error while computing 52.69 15.32 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579918 503617 11 Dec 2025, 13:28:13 UTC 11 Dec 2025, 13:33:11 UTC Error while computing 81.09 18.40 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579965 611154 11 Dec 2025, 13:33:21 UTC 11 Dec 2025, 13:36:11 UTC Error while computing 51.89 3.24 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579992 631829 11 Dec 2025, 13:36:18 UTC 11 Dec 2025, 13:40:48 UTC Error while computing 153.17 18.59 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580026 641068 11 Dec 2025, 13:40:58 UTC 11 Dec 2025, 13:45:48 UTC Error while computing 140.98 33.67 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580065 628466 11 Dec 2025, 13:45:59 UTC 11 Dec 2025, 13:50:01 UTC Error while computing 125.33 20.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580098 621366 11 Dec 2025, 13:50:10 UTC 11 Dec 2025, 14:00:11 UTC Error while computing 55.31 7.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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