From: McGuire, Kelly (mcg05004_at_byui.edu)
Date: Thu Mar 28 2019 - 19:34:43 CDT
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
Department of Physiology and Developmental Biology
Brigham Young University
Provo, UT 84602
This archive was generated by hypermail 2.1.6 : Sun Sep 15 2019 - 23:20:28 CDT