Have you compiled and are you running sander.MPI?
________________________________________
From: Sreemol G [sreemolinfo.gmail.com]
Sent: 04 April 2016 07:47
To: AMBER Mailing List
Subject: Re: [AMBER] General question
I'm using sander for running simulation.. I already checked mdout file but
I didn't find line "Running AMBER/MPI version on 4 nodes" in mdout file.
If I want to run the program in parallel what should I do???
Both sander and pmemd report what version is running and how many "nodes"
have been used. Look into the MDOUT file.
________________________________________
From: Sreemol G [sreemolinfo.gmail.com]
Sent: 04 April 2016 07:04
To: AMBER Mailing List
Subject: [AMBER] General question
Hi all,
Can anyone tell me the command to check whether amber simulation
is running in parallely in all core (N=4). For running 500ps simulation it
took almost 19 hrs of wall clock time. Since, I want to check whether its
running in serial or parallel.
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Received on Mon Apr 04 2016 - 00:30:04 PDT
