Re: [gmx-users] mpi-run2

2010-05-31 Thread Jussi Lehtola 
On Mon, 2010-05-31 at 07:38 -0700, nanogroup wrote:
> Dear Justin,
> 
> Let me tell the details:
> 
> I have a PC with 4 CPU,
> 
> Fedora 11 x86_64 is installed,
> 
> The rpm files of Gromacs 4 are installed,
> 
> now, I want to configure the gromacs to use all 4 CPUs,
> 
> At the end of configuration process, it says that the FFTW could not
> be found!


Uhh.. Just to be clear: you have installed GROMACS from rpms. Then why
do you want to compile GROMACS...?

Btw: did you use the Fedora RPMs or the ones from the GROMACS website?
The ones on the website are really old.
-- 
--
Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.leht...@helsinki.fi, p. 191 50632
--
Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.leht...@helsinki.fi
--

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[gmx-users] mpi-run2

2010-05-31 Thread nanogroup 
Dear Justin,

Let me tell the details:

I have a PC with 4 CPU,

Fedora 11 x86_64 is installed,

The rpm files of Gromacs 4 are installed,

now, I want to configure the gromacs to use all 4 CPUs,

At the end of configuration process, it says that the FFTW could not be found!

The fftw files are installed in    "  /usr/lib64  "

The problem is that how I can define this path for configuration process!


I would be pleased if you kindly help me by more paitiance of course!


Thanks.

Mahmoud<




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