You probably should adjust the settings in siteconfig. ./siteconfig In the menu for example, select P, n, n, 0 (may not work correctly; refer to my previous mailing list post), ssh, y, enter your f90 compiler, and the -DFFTW3 can be changed in FPOPT
If want to change in the Makefile manually (likely overriden if you use siteconfig), open the Makefile in a text editor: vi $WIENROOT/SRC_lapw0/Makefile You should see -DFFTW3 in the FPOPT line. There should also be fftw3 options in RP_LIBS, if it has not been changed from the default settings. On 8/25/2012 7:01 AM, yedu kondalu wrote: > Dear all, > > We are running Wien2k11 version in complete parallel and presently > trying to install Wien2k-12.1 in parallel. While installing, we have > error in SRC_lapw0. i.e. > > >/ fft_modules.o: In function `fftw_parallel_mp_prepare_parallel_ffts_': > />/ fft_modules.F:(.text+0x37): undefined reference to `fftw_mpi_init' > />/ fft_modules.F:(.text+0xbb): undefined reference to > `fftw_mpi_local_size_3d_f03' > />/ fft_modules.F:(.text+0xcc): undefined reference to `fftw_alloc_complex' > />/ fft_modules.o: In function `fftw_parallel_mp_c3fft_': > />/ fft_modules.F:(.text+0x9d1): undefined reference to > `fftw_mpi_execute_dft' > />/ fft_modules.F:(.text+0x1147): undefined reference to > `fftw_mpi_execute_dft' > />/ fft_modules.F:(.text+0x2946): undefined reference to > `fftw_mpi_plan_dft_3d_f03' > />/ fft_modules.F:(.text+0x3129): undefined reference to > `fftw_mpi_plan_dft_3d_f03' > />/ make[1]: *** [lapw0_mpi] Error 1 > />/ make[1]: Leaving directory `/home/kondal/Wien2k12/SRC_lapw0' > />/ make: *** [para] Error 2/ > From the forum we got the information that FFT3 compilers should be > changed in Makefile. Can you please explain ( where I can find -DFFT3 > or -DFFT2 in Makefile for SRC_lapw0) ????? > > Thanks in advance > > With regards > Yedukondalu > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120825/500731a0/attachment.htm>