[Wien] Compilation problem of lapw0_mpi(fftw)

[Maxim Rakitin]

Dear Hiroki Takahashi,

Have you performed configure/make/make install with ifort compiler?
It seems that you don't have appropriate libraries after installation of 
the fftw suite. I used the following command to configure it:

./configure --prefix=$HOME/lib/fftw2 LDFLAGS=-L/share/mpi/mvapich/lib 
CC=icc FC=ifort F77=ifort --enable-mpi

Try to reinstall fftw and recompile lapw0. I hope that will help you.

Best regards,
- Maxim Rakitin


26.10.2010 13:45, Hiroki Takahashi пишет:
> Dear WIEN2k Users,
>
> I am trying to install WIEN2k_10.1 on a cluster computer. But I
> got an error in compiling lapw0_mpi. The error message is :
>
>
> ---------------------
> mpif90 -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -O3 -xP -DParallel -c W2kinit.F
> mpif90 -o lapw0_mpi cputim.o modules.o reallocate.o ainv.o am05_xscss.o b88.o blyp.o brj
> *-----------*
> zfft3d.o  W2kutils.o W2kinit.o -L/opt/intel/fce/9.1.052/lib -i-static
> -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread
> -L/opt/intel/mkl/10.0.2.018/lib/em64t -Bstatic -lmkl_scala
> pack -lmkl_blacs_lp64 -lmkl_blacs_ilp64 -lmkl_lapack -lmkl_em64t
> -lguide -Bdynamic -lpth read -L/usr/local/fftw/lib -lfftw_mpi
> -lfftw -L/usr/local/mpich-1.2.7/lib -lmpich
> fftw_para.o(.text+0x7c): In function `exec_fftw_para_':
> : undefined reference to `fftwnd_f77_mpi_'
> fftw_para.o(.text+0xba): In function `exec_fftw_para_':
> : undefined reference to `fftwnd_f77_mpi_'
> fftw_para.o(.text+0xf5): In function `init_fftw_para_':
> : undefined reference to `fftw3d_f77_mpi_create_plan_'
> fftw_para.o(.text+0x11d): In function `init_fftw_para_':
> : undefined reference to `fftw3d_f77_mpi_create_plan_'
> fftw_para.o(.text+0x143): In function `init_fftw_para_':
> : undefined reference to `fftwnd_f77_mpi_local_sizes_'
> make[1]: *** [lapw0_mpi] Error 1
> make[1]: Leaving directory `/usr/local/WIEN2k_10/SRC_lapw0'
> make: *** [para] Error 2
> (END)
> ---------------------
>
> os:Redhat Linux
> ifort:9.1.052
> mkl:10.0.2.018
> mpich1.2.7
> fftw2.1.5 (with --enable-mpi switch)
>
> My Makefile option is :
> FC = ifort
> MPF = mpif90
> CC = cc
> FOPT =  -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -O3 -xP
> FPOPT =  -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -O3 -xP
> DParallel = '-DParallel'
> FGEN = $(PARALLEL)
> LDFLAGS = -L/opt/intel/fce/9.1.052/lib -i-static -Bstatic  -lguide -lguide_stats -lsvml -Bdynamic -lpthread
> R_LIBS     = -L/otp/intel/mkl/10.0.2.018/lib/em64t -Bstatic -lmkl_lapack -lmkl_em64t -lguide -Bdynamic -lpthread
> RP_LIBS = -L/opt/intel/mkl/10.0.2.018/lib/em64t -Bstatic  -lmkl_scalapack -lmkl_blacs_lp64  -lmkl_blacs_ilp64
> -lmkl_lapack -lmkl_em64t -lguide -Bdynamic -lpthread -L/usr/local/fftw/lib -lfftw_mpi -lfftw
> -L/usr/local/mpich-1.2.7/lib -lmpich
>
> Though I refered to WIEN mailing list and FAQ on web for
> option/flags, I still got an compiling error of fftw. I am
> wondering if anyone could help me.
>
> Regards
> -----------------------
> Hiroki Takahashi
> hiroki_takahashi at mitsui-kinzoku.co.jp
> Mitsui Mining&  Smelting Co., Ltd.
> -----------------------
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>