Re: [ESPResSo] Problems in Running Sample Scripts

[Ulf Schiller]

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Olaf Lenz wrote:
> Hi Lorenzo,
> 
> Lorenzo Isella wrote:
>>>../fft.c: In function 'fft_init':
>>>../fft.c:274: error: 'p3m' undeclared (first use in this function)
>>>../fft.c:274: error: (Each undeclared identifier is reported only once
>>>../fft.c:274: error: for each function it appears in.)
> [clip]
> 
> These look strange to me.
> Probably, you should try to run "make clean" and then "make" again, or
> even unpacking the sources again, copying the myconfig.h to the
> sourcedir, and then redo the whole procedure. Hopefully, this solves the
> problem.
> If it doe not, could you please send me the file "config.log" from the
> object directory, i.e. the file from the directory
> "obj-Pentium_M-pc-linux" (NOT the one from the source directory).
> 
>>>Is this due to the fact that I have both a configuration file and I am
>>>specifying some options in the ./configure command? 
> 
> No, these should not influence each other.
> 
> Olaf

Hi,

I'm afraid I missed to post my reply to the list. I think the problem
was that in an older version of ESPResSo (i.e. the version downloadable
via the form on our website) the fft.c is included even when
electrostatics is not compiled in. This has been fixed in the CVS
repository (fft.c contains #ifdef ELP3M instead if #ifdef FFTW) meanwhile.
So the fix to the problem is either to include #ifdef ELECTROSTATICS in
myconfig.h or to change the file fft.c as indicated above.

Cheers,
Ulf

- --
Ulf D. Schiller   *   Room 1.404   *   Phone +49 6131 379-481
Max Planck Institute for Polymer Research
Theory Group
D-55128 Mainz, Germany                   50° 0' N, 008° 16' E

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> Subject: 
>
> Re: [ESPResSo] Problems in Running Sample Scripts
>
>
>
>
> Date: 
>
> Fri, 05 Oct 2007 11:47:44 +0200
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> Hi Lorenzo,
>
> Lorenzo Isella wrote:
> > Dear Ulf,
> > Thanks for your suggestion.
> > However, after creating the myconfig.h from myconfig-sample.h and
> > using the line
> > #define PARTIAL_PERIODIC, a new problem arises.
> > This is what I am doing:
> > ../configure --without-mpi CPPFLAGS=-I/usr/include/tcl8.4
> > and then simply
> > make
> >  but this is the (part with the reported errors) outcome of the make command:
> > 
> > 
> > .../fft.c: In function 'fft_init':
> > .../fft.c:274: error: 'p3m' undeclared (first use in this function)
> > .../fft.c:274: error: (Each undeclared identifier is reported only once
> > .../fft.c:274: error: for each function it appears in.)
> > make[3]: *** [fft.o] Error 1
> > make[3]: Leaving directory
> > `/home/iselllo/internet-download/Espresso/obj-Pentium_M-pc-linux'
> > make[2]: *** [all-recursive] Error 1
> > make[2]: Leaving directory
> > `/home/iselllo/internet-download/Espresso/obj-Pentium_M-pc-linux'
> > make[1]: *** [all] Error 2
> > make[1]: Leaving directory
> > `/home/iselllo/internet-download/Espresso/obj-Pentium_M-pc-linux'
> > make: *** [all] Error 2
> > 
> > 
> > whereas before (i.e. same commands but without creating my own
> > configuration file) I could get Espresso installed.
> > Is this due to the fact that I have both a configuration file and I am
> > specifying some options in the ./configure command? I suppose this
> > should boil down to changing a few lines here and there, but so far I
> > have not achieved much.
> > Any suggestion is welcome.
>
> Which version of ESPResSo do you have? The problem seems to be that fftw
> is compiled in although you haven't enabled ELECTROSTATICS. You can
> circumvent this by either enabling ELECTROSTATICS in myconfig.h or
> changing the #ifdef FFTW at the top of fft.c (which I guess is there in
> your version) into #ifdef ELP3M.
>
> Hope this helps,
> Ulf
>
> - --
> Ulf D. Schiller   *   Room 1.404   *   Phone +49 6131 379-481
> Max Planck Institute for Polymer Research
> Theory Group
> D-55128 Mainz, Germany                   50° 0' N, 008° 16' E
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