[gmx-users] mpi-run

[Justin A. Lemkul]

nanogroup wrote:
> Dear GMX Users,
> 
> I want to run Gromacs on a multiprocessor PC.
> 
> The MPI files are correctly installed and the gromacs is also configured.
> 
> However, at the end of configuration section, an Error appears that the 
> FFTW can not be found!
> 
> Indeed, the FFTW is already installed but the configuration can not 
> locate it!
> 
> Would you please help me to locate the fftw!

Please follow the installation instructions, most notably the information in the 
"Configuration" section:

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

If you're still having difficulty, please provide more detail, like the actual 
commands you're issuing, where FFTW is installed, and what the actual error 
messages are.

-Justin

> 
> Many thanks
> Mahmoud
> 
> 

-- 
========================================

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

========================================