[gmx-users] mpi-run

Justin A. Lemkul jalemkul at vt.edu
Sun May 30 17:07:14 CEST 2010

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:


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.


> Many thanks
> Mahmoud


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list