Machinefile Question

From: McGuire, Kelly (mcg05004_at_byui.edu)
Date: Thu Mar 28 2019 - 19:34:43 CDT

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For an NAMD/ORCA QM/MM simulation, does the machinefile ORCA requires for parallel computing have a specific format? I place my machinefile in the ORCA directory with the same name as my input file and ending with .nodes, but it appears that ORCA is trying to use processors on the same node as NAMD still...

Kelly L. McGuire

PhD Candidate

Biophysics

Department of Physiology and Developmental Biology

Brigham Young University

LSB 3050

Provo, UT 84602

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