[Wien] Compilation problem of lapw0_mpi(fftw)

Hiroki Takahashi hiroki_takahashi at mitsui-kinzoku.co.jp
Tue Oct 26 11:24:47 CEST 2010


Dear Maxim Rakitin,

Thank you for your nice advice. I compiled fftw again according
to your option, then compilation of WIEN was successfully
completed.


Regards
-----------------------
Hiroki Takahashi
hiroki_takahashi at mitsui-kinzoku.co.jp
Mitsui Mining & Smelting Co., Ltd.
-----------------------


On Tue, 26 Oct 2010 13:53:54 +0600
Maxim Rakitin <rms85 at physics.susu.ac.ru> wrote:

> 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.
> > -----------------------
> >
> >
> >
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> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
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