[Pw_forum] problem with compilation of espresso in HP-UX

Axel Kohlmeyer axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Fri May 6 14:52:34 CEST 2005

On Fri, 6 May 2005, Jose C. Conesa wrote:

dear jose,

JC> Dear all,
JC> First of all, Axel Kohlmeyer's solution on the problem with the repeated 
JC> 'rd_ht? definition was perfect. Compilation in the alpha machine is now 
JC> OK. Many thanks.

you're welcome. i have a couple of those here in bochum (quite vintage 
hardware and running linux, though) and occasionally (ab)use the 
good ole dec fortran compiler as acid test for static code checking.
so that one was easily spotted.

JC> Secondly: I tried to compile espresso 2.1.3 also in a HP machine with 
JC> Itanium2 processors and HP-UX. This architecture was not known to 
JC> configure. Can someone suggest a closest one that I may try, or some 
JC> other solution?

you are in for some real 'fun', eh? 
i don't have any of those in our backlot, but the following 
are some flags for that kind of config from a different 
QC-software package. you may want to import them into your
make.sys if the default does not work or you suspect not
getting the most out of the machine.

FFLAGS='+Ofast +Odataprefetch +DSnative +U77 +DD64 +Onoopenmp +externals=equiv_file'
LFLAGS='-Wl,-a,archive_shared +O3 +Oparallel +U77 +DD64 \
             -L/opt/mlib/lib/hpux64 -lveclib -llapack -lm'

also from the existing include files, using 


seems like a reasonable choice.

good luck,

JC> All the best,
JC> Jose C. Conesa
JC> Instituto de Catalisis y Petroleoquimica, CSIC
JC> Campus de Cantoblanco
JC> 28049 Madrid  -  Spain
JC> Phone Nr. 34-91-5854766
JC> Fax Nr. 34-91-5854760
JC> _______________________________________________
JC> Pw_forum mailing list
JC> Pw_forum at pwscf.org
JC> http://www.democritos.it/mailman/listinfo/pw_forum


Dr. Axel Kohlmeyer   e-mail: axel.kohlmeyer at theochem.ruhr-uni-bochum.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/
If you make something idiot-proof, the universe creates a better idiot.

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