[gmx-users] Installing gromacs 5.0.2 double precision with shared fftw libraries

2014-11-19 Thread Soren Wacker
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

Re: [gmx-users] Installing gromacs 5.0.2 double precision with shared fftw libraries

2014-11-19 Thread Carsten Kutzner
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

Re: [gmx-users] Installing gromacs 5.0.2 double precision with shared fftw libraries

2014-11-19 Thread Johnny Lu
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

Re: [gmx-users] Installing gromacs 5.0.2 double precision with shared fftw libraries

2014-11-19 Thread Soren Wacker
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

Re: [gmx-users] Installing gromacs 5.0.2 double precision with shared fftw libraries

2014-11-19 Thread Mark Abraham
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

Re: [gmx-users] Installing gromacs 5.0.2 double precision with shared fftw libraries

2014-11-19 Thread Soren Wacker
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

Re: [gmx-users] Installing gromacs 5.0.2 double precision with shared fftw libraries

2014-11-19 Thread Mark Abraham
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

Re: [gmx-users] Installing gromacs 5.0.2 double precision with shared fftw libraries

2014-11-19 Thread Soren Wacker
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

Re: [gmx-users] Installing gromacs 5.0.2 double precision with shared fftw libraries

2014-11-19 Thread Carsten Kutzner
@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

Re: [gmx-users] Installing gromacs 5.0.2 double precision with shared fftw libraries

2014-11-20 Thread Mark Abraham
; Calgary, Alberta > > Canada, T2N 1N4 > > > > Tel.: ++1 (403) 210 7860 > > Email: swac...@ucalgary.ca > > > > > > From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se [ > gromacs.org_gmx-users-boun...@