Re: Compile NAMD on Bluegene

From: Mgr. Lubos Vrbka (lubos.vrbka_at_uochb.cas.cz)
Date: Thu Jun 15 2006 - 01:01:25 CDT

hi,

> This time, after compiled for a while, the new problem
> came out as:
> "src/ComputePme.C", line 8.10: 1540-0836 (S) The
> #include file <sfftw.h> is not found.
> "src/ComputePme.C", line 9.10: 1540-0836 (S) The
> #include file <srfftw.h> is not found.
> I checked the fftw directory and find out there are
> only fftw.h and rfftw.h in the include directory.
> As the fftw libary are downloaded from the website as
> suggested (I downloaded the file
> fftw-bluegene.tar.gz), I now have no idea how to fix
> this problem.
> Please give some hints. Thanks.
i don't have any experience with namd compilation, but this error means
that you are trying to use single precision version of the fftw binary
that is apparently missing on your computer. maybe there is some switch
you can use to specify that you want to use double precision fftw
instead of single precision (in configure scripts the switch is usually
--enable-float/--disable float). i don't know what is the situation for
namd, though...

regards,
lubos

-- 
.....................................................
Mgr. Lubos Vrbka
Center for Biomolecules and Complex Molecular Systems
Institute of Organic Chemistry and Biochemistry
Academy of Sciences of the Czech Republic
Prague, Czech Republic
http://www.molecular.cz/~vrbka
.....................................................

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