[gmx-users] Question on installation

Justin Lemkul jalemkul at vt.edu
Mon Dec 8 20:23:57 CET 2014

On 12/8/14 12:38 PM, Igor Shchechkin wrote:
> Dear Gromacs users,
> I have obtained the error "Cannot find fftw3f library" installing
> 4.5.3 version of Gromacs.
> fftw 3.3.4 version has been preliminary installed,
> names of include and lib directories present in CPPFLAGS and LDFLAGS
> configuring Gromacs,
> both FFTW and Gromacs are configured in single precision.
> Mailing list is sought and the information found is irrelevant to my case.
> Could you, please, help me?

You need to provide the actual command(s) you issued.  If FFTW is installed, 
whatever you specified as a path during Gromacs installation was probably just 



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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