[gmx-users] Re: gmx-users Digest, Vol 73, Issue 193 (mpi-run)

Justin A. Lemkul jalemkul at vt.edu
Sun May 30 21:24:09 CEST 2010

nanogroup wrote:
> Dear Justin
> Many thanks for your response
> This is the exact phrase:
> "
> Use CPPFLAGS and LDFLAGS if the library is installed in a
> non-standard location. (see FAQ at http://www.gromacs.org)
> If you dont care about performance you can also specify 'fftpack'
> to use a slower set of FFTs built into Gromacs.
> (Just install FFTW3 unless you really know what you are doing).
> "
> But I am realy mixed up by defining the fftw!

Without seeing what you're doing, no one can help you.  I asked before that you 
provide the exact commands that you're issuing, as well as a description of what 
you've installed and where.  If you want free help, you have to make it easy for 
us to help you.

The above quote provides useful information, but there's even an example of how 
to set CPPFLAGS and LDFLAGS on the same page.

Also, please do not reply to the entire digest.  Cut and paste relevant portions 
if necessary, and set an appropriate subject line.  This helps to avoid a lot of 
junk in the archive.



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


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