Workunit 31545119

name JNK1_A34_A12_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND4391
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:22:55 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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38579843 627914 11 Dec 2025, 13:22:57 UTC 11 Dec 2025, 13:32:48 UTC Error while computing 419.06 419.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579959 526681 11 Dec 2025, 13:32:58 UTC 11 Dec 2025, 13:41:51 UTC Error while computing 248.02 67.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580030 521288 11 Dec 2025, 13:41:57 UTC 11 Dec 2025, 13:44:41 UTC Error while computing 86.65 7.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580053 637595 11 Dec 2025, 13:44:48 UTC 11 Dec 2025, 13:46:06 UTC Error while computing 47.02 5.86 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580068 523478 11 Dec 2025, 13:46:12 UTC 12 Dec 2025, 1:03:59 UTC Error while computing 235.54 54.13 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580846 604303 12 Dec 2025, 1:04:09 UTC 12 Dec 2025, 1:06:18 UTC Error while computing 46.25 11.61 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580848 618582 12 Dec 2025, 1:06:28 UTC 12 Dec 2025, 3:10:27 UTC Error while computing 124.70 12.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580872 647675 12 Dec 2025, 3:10:36 UTC 12 Dec 2025, 3:37:29 UTC Error while computing 92.29 6.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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