[gmx-users] Re: MPI and dual-core laptop

[simon sham]

Hi,
I was finally able to get my MPI GROMACS running on my laptop. Thanks for all those who have provided invaluable suggestions. 
 
Best,
 
Simon Sham 

--- On Mon, 9/27/10, simon sham <ssham44 at yahoo.com> wrote:


From: simon sham <ssham44 at yahoo.com>
Subject: MPI and dual-core laptop
To: gmx-users at gromacs.org
Date: Monday, September 27, 2010, 11:42 AM






Hi,
I wanted to test the GROMACS MPI version in my dual-processors laptop. I have installed openmpi 1.4.2 version. However, when I tried to configure GROMACS 4.5.1 with --enable-mpi option, I got the following configuration problem:

"checking whether the MPI cc command works... configure: error: Cannot compile and link MPI code with mpicc"


mpicc is in my /usr/local/bin directory.

Questions:
1. Can I run GROMACS 4.5.1 in a dual-processor laptop?
2. If yes, how should I configure the software?

Thanks in advance for your insight.

Best,

Simon Sham




      
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