Hi,
I have trouble to install gromacs 5.0.2 in double precision with shared fftw
libraries. During the cmake process I get:
Could not find fftw3 library named libfftw3, please specify its location in
CMAKE_PREFIX_PATH or FFTW_LIBRARY by hand (e.g.
-DFFTW_LIBRARY='/path/to/libfftw3.so')
CMake
Hi Sören,
instead of providing FFTWF_INCLUDE_DIR and FFTWF_LIBRARY you
could also put ~/Programme/fftw3/double/ in CMAKE_PREFIX_PATH as well.
Viele Grüße!
Carsten
On 19 Nov 2014, at 19:25, Soren Wacker wrote:
> Hi,
>
> I have trouble to install gromacs 5.0.2 in double precision with share
Or, just let it build its own fftw3?
cmake ${SOURCE_DIR} \
-DCMAKE_INSTALL_PREFIX=${INSTALL_DIR} \
-GMX_BUILD_OWN_FFTW=ON \
-DCMAKE_PREFIX_PATH="/global/software/boost/gcc" \
-DGMX_DOUBLE=on \
-DGMX_CPU_ACCELERATION="SSE4.1"
What compilers and cpu are you using?
On Wed, Nov 19, 2014 at 1:43
double precision with shared
fftw libraries
Or, just let it build its own fftw3?
cmake ${SOURCE_DIR} \
-DCMAKE_INSTALL_PREFIX=${INSTALL_DIR} \
-GMX_BUILD_OWN_FFTW=ON \
-DCMAKE_PREFIX_PATH="/global/software/boost/gcc" \
-DGMX_DOUBLE=on \
-DGMX_CPU_ACCELERATION="SSE4.1"
Wh
On Wed, Nov 19, 2014 at 7:25 PM, Soren Wacker wrote:
> Hi,
>
> I have trouble to install gromacs 5.0.2 in double precision with shared
> fftw libraries. During the cmake process I get:
>
> Could not find fftw3 library named libfftw3, please specify its location
> in CMAKE_PREFIX_PATH or FFTW_LIBR
rg_gmx-users-boun...@maillist.sys.kth.se] on behalf of Mark Abraham
[mark.j.abra...@gmail.com]
Sent: Wednesday, November 19, 2014 3:01 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Installing gromacs 5.0.2 double precision with shared
fftw libraries
On Wed, Nov 19, 2014 at 7
ys.kth.se] on behalf of Mark
> Abraham [mark.j.abra...@gmail.com]
> Sent: Wednesday, November 19, 2014 3:01 PM
> To: Discussion list for GROMACS users
> Subject: Re: [gmx-users] Installing gromacs 5.0.2 double precision with
> shared fftw libraries
>
> On Wed, Nov 19, 2014 at 7:25
oun...@maillist.sys.kth.se] on behalf of Carsten
Kutzner [ckut...@gwdg.de]
Sent: Wednesday, November 19, 2014 11:43 AM
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Installing gromacs 5.0.2 double precision with shared
fftw libraries
Hi Sören,
instead of providing FFTWF_INCLUDE_DIR and FF
@gwdg.de]
> Sent: Wednesday, November 19, 2014 11:43 AM
> To: gmx-us...@gromacs.org
> Subject: Re: [gmx-users] Installing gromacs 5.0.2 double precision with
> shared fftw libraries
>
> Hi Sören,
>
> instead of providing FFTWF_INCLUDE_DIR and FFTWF_LIBRARY you
> cou
; Calgary, Alberta
> > Canada, T2N 1N4
> >
> > Tel.: ++1 (403) 210 7860
> > Email: swac...@ucalgary.ca
> >
> >
> > From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se [
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