[Wien] parallel installation problem in LAPW0

[Peter Blaha]

Version 11.1 does not have fftw3 support, but you have to link with fftw2

only WIEN2k_12.1 has both, fftw2 and 3 support.

Am 24.09.2012 13:45, schrieb Reza Mahani:
>
> Hi Prof Blaha and Wien2k users,
>
> I am trying to install Wien2k 11.1 with the following OPTIONS:
>
> current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback
> current:FPOPT:$(FOPT)
> current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread
> current:DPARALLEL:'-DParallel'
> current:R_LIBS:-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread
> current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64 -L/PATH-TO-FFTW3/lib/ -lfftw3_mpi -lfftw3 $(R_LIBS)
> current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
>
> LAPW1 and 2 has been installed without any error but I have got the following errors in LAPW0 for parallel installation:
>
> fftw_para.o: In function `exec_fftw_para_':
> fftw_para.F:(.text+0x77): undefined reference to `fftwnd_f77_mpi_'
> fftw_para.F:(.text+0xb2): undefined reference to `fftwnd_f77_mpi_'
> fftw_para.o: In function `init_fftw_para_':
> fftw_para.F:(.text+0x105): undefined reference to `fftw3d_f77_mpi_create_plan_'
> fftw_para.F:(.text+0x12f): undefined reference to `fftw3d_f77_mpi_create_plan_'
> fftw_para.F:(.text+0x157): undefined reference to `fftwnd_f77_mpi_local_sizes_'
> make[1]: *** [lapw0_mpi] Error 1
> make[1]: Leaving directory `/PATH-TO-WIEN2K11/Wien2k_11.1/SRC_lapw0'
> make: *** [para] Error 2
>
> 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".
> Does anyone know what are these errors and how to solve them?
>
> Regards
> Reza
>
>
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>

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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