[Pw_forum] Compilation error

[BOUYER Frédéric 153746]

Hello Guido,

Thanks to your answer. I already made the changes you propose (change $CC to
$CCLOCAL or use the cc compiler instead of the sxcc ... at the beginning ).

I have used one of the three modes for the compilation (ASL, ... or FFT of
jmfft libraries), but I still have the same problem during the compilation.
It stops always at the same point with the same errors.

By the way, many thanks for the changes in the zfc3cl routine.

Frédéric 

-----Message d'origine-----
De : Guido Roma [mailto:roma at srmp19.saclay.cea.fr] 
Envoyé : mercredi 5 mai 2004 09:08
À : pw_forum at pwscf.org
Objet : Re: [Pw_forum] Compilation error

On Tue, 2004-05-04 at 16:09, BOUYER Frédéric 153746 wrote:
> Hello Everybody,
> 
> I am a very new user of PWscf and would try to compile on our NEC machine.
> 
> After making some changes in the make.sys file, the compilation starts as
> expected, but after some minutes, the compilation stops with the following
> errors (see below).

Hello,

As far as I know there's one thing that you should do in order to
crosscompile the last version of PWSCF (2.0.2) for NEC:
change CC to CCLOCAL in install/Makefile

then, after ./configure.old sxcross, it should work out of the box.

But I see that you're using jmfft, this means that you're probably using
a previous version (1.3.0?). In that case you can probably solve your
problems by adding to pwtools/Makefile the following lines:

.../Modules/recvec.o \
.../Modules/control_flags.o \
.../Modules/parallel_include.o \
.../Modules/shmem_include.o \
.../Modules/fft_types.o

A remark: jmfft is slower than NEC ASL libraries for FFT; but if you use
ASL you have to be careful, because some versions of ASL contain a
routine (zfc3cl) which is bugged; in that case PWSCF can give wrong
results.
A workaround is to substitute (in PW/cft_3.f90) this routine by
My_zfc3cl here below.
Best regards,

Guido Roma

_____________________________________________________________________
subroutine My_zfc3cl(f1,nr1,nr2,nr3,nrz1,nrz2,nrz3,ierr)
  use kinds, only : DP
  complex(kind=DP), dimension(nrz1,nrz2,nrz3) :: f1
 

  f1(1:nrz1,1:nrz2,nr3+1:nrz3) = cmplx(0.0,0.0)
  f1(1:nrz1,nr2+1:nrz2,1:nrz3) = cmplx(0.0,0.0)
  f1(nr1+1:nrz1,1:nrz2,1:nrz3) = cmplx(0.0,0.0)
 

  ierr=0
end subroutine My_zfc3cl
______________________________________________________________________





> 
> Could anyone help me to find what is wrong ?
> 
> Many thanks in advance.
> 
> Best regards,
> 
> Frédéric Bouyer
>
___________________________________________________________________________
> 
> sxf90 -o q2r.x q2r.o rigid.o ../PW/pwcom.o ../PW/cft_3.o .../PW/checksym.o
> .../PW/coset.o ../PW/cryst_to_car.o ../PW/cubicsym.o ../PW/dsum.o
> .../PW/eqvect.o ../PW/error.o ../PW/error_handler.o ../PW/hexsym.o
> .../PW/invmat.o ../PW/irrek.o ../PW/kpoint_grid.o ../PW/mode_group.o
> .../PW/multable.o ../PW/random.o ../PW/sgam_at.o ../PW/sgam_ph.o
> .../PW/sgama.o ../PW/smallg_q.o ../PW/supercell.o ../PW/trnvecc.o
> .../PW/wsweight.o ../Modules/basic_algebra_routines.o
.../Modules/constants.o
> .../Modules/io_global.o ../Modules/io_files.o ../Modules/fft_scalar.o
> .../Modules/formats.o ../Modules/kind.o ../Modules/mp.o
> .../Modules/mp_global.o ../Modules/parameters.o ../Modules/parser.o
> .../Modules/splinelib.o  -float0 -P stack -sx6 -g  -Wf" -init stack=zero
> heap=zero" /home/bouyer/PWSCF/flib/ptools.a /home/bouyer/PWSCF/flib/flib.a
> /home/bouyer/PWSCF/clib/clib.a -p -Wl" -f zero " -llapack -lblas
> -L/home/bouyer/JMFFT-7.2/ -ljmfft
> undefined                       first referenced
>  symbol                             in file
> reciprocal_vectors_                 ../PW/pwcom.o
> control_flags_                      ../PW/pwcom.o
> fft_types_                          ../PW/pwcom.o
> parallel_include_                   ../Modules/mp.o
> shmem_include_                      ../Modules/mp_global.o
> sxld fatal: symbol referencing errors. no output written to file q2r.x.
> 
>
____________________________________________________________________________
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