[Pw_forum] Installation issues in an Itanium system

[Gerardo Ballabio]

On Thu, 2004-09-02 at 11:46, Jose C. Conesa wrote:
> a) ./configure gives a warning: the architecture, reported to be
> 'ia64-unknown-linux-gnu', is unsupported. I presume that the configure
> script has to be improved to recognise this architecture. Can someone
> advise on what needs to be done?.

Hi Jose,
the configure script has been much improved in the current development
version (in attachment). ia64 is now supported. Let me know if you still
have problems.

> c) A third aspect: although I have (through the Intel fortran compiler)
> the mkl libraries (and consequently the /opt/intel/mkl61/lib/32 and
> /opt/intel/mkl61/lib/64 directories), configure does not detect them. I
> imagine that the solution to a) will have to solve also this. My concern
> here is: will I need then to do something to ensure that the 64-bit
> version, not the 32-bit one, is used?

I think not. The 64 bit version should be selected automatically.

> --Problem in compilation:
> 
> d) If I decide to proceed anyway and, after using the said flags for
> configure (which allows it at least to complete with warnings but not
> errors), I type
>           make pw
>      then the system complains that some *.F90 file is not found (it
> tries to preprocess it), and stops. I'm confused here, since far as I
> could see it seems that the whole pwscf tar file contains no *.F90 file,
> only *.f90 files. Why then does the system ask for F90 files? What 
> should I do?

This is also a known bug of the old configure, now fixed.
I guess gcc is being selected as C compiler. If you have icc, the
updated configure should find it.

> e) The result of ./configure says as well:
>         WARNING: parallel environment not detected
>         this program will run in single-processor mode
>     Indeed I have no MPI installed (yet). But I'm told that even without
> mpi or pvm installed one may run in biprocessor mode using OpenMP. 
> Can someone advice how is this to be done?
> 
> f) If I were to install MPI (probably MPICH), would it be
> possible/adequate to keep using OpenMP in the compilation?

PWscf uses MPI for all parallel operations. OpenMP uses a completely
different programming paradigm, and it would require a LOT of work to
support it. I don't think it's going to happen.

> g) In either of both cases (MPI or only OpenPM): if I decide to use the
> fftw and/or atlas libraries, should I ensure that they are compiled with
> the same parallelization characteristics as the main pwscf software in
> order to make the result viable or at least optimally effcient?

These are single-processor libraries. Parallelization is handled by
PWscf at a higher level. You can compile them once and use them with
serial code, MPI, OpenMP, whatever.

Gerardo

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