Re: running NAMD in parallel

From: Jim Phillips (
Date: Sat Nov 29 2014 - 16:51:06 CST

That is a multicore (i.e., shared-memory) binary, not based on MPI. All
you need to do is "/path/to/namd2 +p8 <input file>".

This is documented in the notes.txt file and in the User's Guide at


On Sat, 29 Nov 2014, Kshatresh Dutta Dubey wrote:

> Dear Users,
> I am new to NAMD. I want to run namd on parallel 8 processor machine for
> tutorial without PBS. I will appreciate if someone can help me to run namd
> in parallel. Using mpirun -np 8 namd2 <input file> doesn't work and giving
> error :
> mpirun was unable to launch the specified application as it could not access
> or execute an executable:
> Executable: /usr/local/NAMD_CVS-2014-11-11_Linux-x86_64-multicore/namd2
> Thanks in advnce
> kshatresh

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