Re: Enabling charmrun in NAMD simulation

From: Roshan Shrestha (roshanpra_at_gmail.com)
Date: Wed Apr 25 2018 - 02:10:27 CDT

Dear Denish,
                   *'standalone mode (not using charmmrun' *means that the
program i.e. namd is being executed on the local machine using single
processor. So, if you do want to make your simulation faster, enable all
processors you have using command like namd2 +p4 if you have 4 processors.
I assume, you work on linux, if you do, type *lscpu *in your terminal to
find how many processors you have got. Good luck !!!
Thanks

On Wed, Apr 25, 2018 at 11:45 AM, Denish Poudyal <qrystal45_at_gmail.com>
wrote:

> Respected researchers,
> I am performing NAMD simulation and in its output log file, it says
> "standalone mode (not using charmrun)" in the first line as shown in
> picture below. What does it mean?? Does enabling it makes the simulation
> faster?? How can I enable it? Thanks.
>
>
>
>
> *Denish PoudyalCDPTU, Nepal*
>

-- 
Roshan Shrestha
M.Sc (Physics)
Central Department of Physics, Tribhuvan University
Kathmandu, Nepal

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