[gmx-users] Question on installation
johnny.lu128 at gmail.com
Tue Dec 9 15:19:09 CET 2014
May be just let gromacs build its own fftw3 library, by
using -DGMX_BUILD_OWN_FFTW=ON in the cmake command,
is a better idea?
On Mon, Dec 8, 2014 at 2:23 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> 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 wrong.
> 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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