[gmx-users] Re: mpi-run2

[Justin A. Lemkul]

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!
> 
> The fftw files are installed in    "  /usr/lib64  "
> 
> The problem is that how I can define this path for configuration process!
> 

If you know where all the libraries and headers are installed, you must set 
LDFLAGS and CPPFLAGS accordingly.  I'll direct your attention once again to the 
specific example that is provided in the Installation Instructions for how to 
deal with this type of situation:

http://www.gromacs.org/index.php?title=Download_%26_Installation/Installation_Instructions#Configuration

If it's still not working, please provide the exact commands you're issuing.

-Justin

> 
> I would be pleased if you kindly help me by more paitiance of course!
> 
> 
> Thanks.
> 
> Mahmoud<
> 
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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