<br>Thanks for your reply.<br>I installed Wien2k 12.1 which has fftw3 support, all previous errors are gone now, but instead I have just one following error in LAPW0:<br><br>fft_modules.o: In function `fftw_parallel_mp_prepare_parallel_ffts_':<br>
fft_modules.F:(.text+0xcf): undefined reference to `fftw_alloc_complex'<br><br>I should mention that there is no error in LAPW1 and 2 and I also tried -DFFTW3 switch which is written in the mailing list but it didn't help.<br>
Could you please tell me how to fix that?<br><br>Regards<br>Reza<br><br><br><br><br><br><br><br><br><div class="gmail_quote">On Mon, Sep 24, 2012 at 1:50 PM, Peter Blaha <span dir="ltr"><<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Version 11.1 does not have fftw3 support, but you have to link with fftw2<br>
<br>
only WIEN2k_12.1 has both, fftw2 and 3 support.<br>
<br>
Am <a href="tel:24.09.2012%2013" value="+12409201213" target="_blank">24.09.2012 13</a>:45, schrieb Reza Mahani:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div class="h5">
<br>
Hi Prof Blaha and Wien2k users,<br>
<br>
I am trying to install Wien2k 11.1 with the following OPTIONS:<br>
<br>
current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback<br>
current:FPOPT:$(FOPT)<br>
current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_<u></u>ARCH) -pthread<br>
current:DPARALLEL:'-DParallel'<br>
current:R_LIBS:-lmkl_lapack95_<u></u>lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread<br>
current:RP_LIBS:-lmkl_<u></u>scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64 -L/PATH-TO-FFTW3/lib/ -lfftw3_mpi -lfftw3 $(R_LIBS)<br>
current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_<br>
<br>
LAPW1 and 2 has been installed without any error but I have got the following errors in LAPW0 for parallel installation:<br>
<br>
fftw_para.o: In function `exec_fftw_para_':<br>
fftw_para.F:(.text+0x77): undefined reference to `fftwnd_f77_mpi_'<br>
fftw_para.F:(.text+0xb2): undefined reference to `fftwnd_f77_mpi_'<br>
fftw_para.o: In function `init_fftw_para_':<br>
fftw_para.F:(.text+0x105): undefined reference to `fftw3d_f77_mpi_create_plan_'<br>
fftw_para.F:(.text+0x12f): undefined reference to `fftw3d_f77_mpi_create_plan_'<br>
fftw_para.F:(.text+0x157): undefined reference to `fftwnd_f77_mpi_local_sizes_'<br>
make[1]: *** [lapw0_mpi] Error 1<br>
make[1]: Leaving directory `/PATH-TO-WIEN2K11/Wien2k_11.<u></u>1/SRC_lapw0'<br>
make: *** [para] Error 2<br>
<br>
I have used "./configure CC=icc FC=ifort F77=ifort --prefix=/PATH-TO-FFTW3/FFTW3 --enable-mpi" in order to configure the fftw-3.3.2 and then "make" and "make install".<br>
Does anyone know what are these errors and how to solve them?<br>
<br>
Regards<br>
Reza<br>
<br>
<br></div></div>
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-- <br>
<br>
P.Blaha<br>
------------------------------<u></u>------------------------------<u></u>--------------<br>
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
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