[gmx-users] About parallel installation of GMX-4.5.1
gmx3 at hotmail.com
Sat Sep 11 11:24:56 CEST 2010
Gromacs 4.5 compiles with a built-in thread mpi library by default.
So you don't need --enable-mpi.
With built in thread-mpi mdrun has an option -nt with by default uses all threads.
> From: lidawei at gmail.com
> Date: Sat, 11 Sep 2010 05:19:57 -0400
> Subject: Re: [gmx-users] About parallel installation of GMX-4.5.1
> To: gmx-users at gromacs.org
> I think you are right.
> 2010/9/11 wuxiao <xiaowu759 at hotmail.com>:
> > Dear GMXers,
> > I have a quad-core computer at hand, on which I would like to install a
> > parallel implementation of GMX-4.5.1. The homepage
> > (http://www.gromacs.org/About_Gromacs/Release_Notes/Version_4.5) refers to
> > "running on a multi-core node now uses thread-based parallelization to
> > automatically spawn the optimum number of threads in the default build". I
> > have a puzzle about it, that is, whether it means that I do not have to add
> > "--enable-mpi" in compling the source for parallel calculations. Please give
> > me some hints, thanks a lot.
> > Chaofu Wu, Dr.
> > --
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