[gmx-developers] pme.c error in the CVS code ...

David spoel at xray.bmc.uu.se
Thu Aug 4 16:14:56 CEST 2005


On Thu, 2005-08-04 at 15:57 +0200, Xavier Periole wrote:
> > mpicc -DHAVE_CONFIG_H -I. -I. -I../../src -I/usr/X11R6/include 
> > -I../../include -DGMXLIBDIR=\"/data1/periole/GROCVS2//share/top\" -O3
> > -fomit-frame-pointer -finline-functions -Wall -Wno-unused 
> > -malign-double -funroll-all-loops -c pme.c -MT pme.lo -MD -MP -MF 
> > .deps/pme.TPlo -o pme.o
> > pme.c: In function `spread_q_bsplines':
> > pme.c:486: structure has no member named `pfft'
> > mpicc: No such file or directory
> > make[1]: *** [pme.lo] Error 1
> >
> > The code at lign 484 is a bit strange ... could you have a look.
> >
> went throught after changing the code ligne 486:
> before :
> #ifdef GMX_MPI
> then:
> #if (defined GMX_MPI && !defined GMX_WITHOUT_FFTW)
> 
> This way it is the same test as in ligne 354 !!!! I am not sure this is 
> good for the
> code in general but this way my compilatin goes through !!!!!
Thanks Xavier,

I've added it to CVS.


> 
> > The compilation goes further .... anmd ends with the message again:
> > make[1]: *** No rule to make target `../mdlib/libmd_mpi.la', needed by 
> > `mdrun'.  Stop.
> >
> Magically this error is also gone !!!
> 
> XAvier
> 
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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