[CPMD-list] Help on Compliling the PC-PGI-MPI

[Axel Kohlmeyer]

On Wed, 7 Jan 2004, lmliu wrote:

LL> Dear All:
LL> 
LL> I can compile the PC-PGI CPMD 3.7.2 using PGI 3.2.4. 
LL> But when I try to compile the parallel PC-PGI-MPI 
LL> using the default "FC=mpif77 -c -fast" and "LD= mpif77 -fast",
LL> it has following error:
LL> 
LL> mpif77 -c -fast -Mr8 -pc64 -byteswapio -Msignextend -Msecond -Underscore ./cpmd.f  -o ./cpmd.o
                               ^^^^^^^^^
             if you don't run cpmd also on a big endian machine, and want 
to exchange restart files you don't (want and) need this.
                                                        ^^^^^^^^^^^^^^^^^^ 
                                      this should read -Msecond_underscore
             or has to be dropped, if you have compiled your lam-mpi for 
             pgf77/pgf90

LL> 
LL> Error: bad option: -fast

most likely, your lam-mpi has been compiled for use with g77, which does 
not recognize the -fast flag.

you could try working around this by using
env LAMHF77=pgf90 mpif77 instead of plain mpif77,
you could recompile lam-mpi for pgi or use a set of
wrapper scripts that enable compatibility between the
various linux compilers for lam.

more detailed explanations of this and other linux related cpmd
problems and a set of cpmd 'compatible' lam-mpi rpms are available at:
http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-linux.html

good luck,
	axel kohlmeyer.


LL> Make: ***[cpmd.o] Error 1.
LL> 
LL> I have installed the LAM-MPI and PGI, and  I think the reason may be 
LL> that  mpif77 and pgf77 should be related. If so, How shoud I set this?
LL> If not, How can I solve this error?
LL> Thanks a lot in advance!
LL> 
LL> 
LL> L.M. Liu
LL> 
LL> 
LL> 
LL>  

-- 


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Dr. Axel Kohlmeyer                        e-mail: axel.kohlmeyer at rub.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum  http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
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