[Pw_forum] problem with compilation of espresso in HP-UX
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:
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
DFLAGS=-D__HP -D__HP64 -D__FFTW -D__USE_INTERNAL_FFTW
seems like a reasonable choice.
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> Pw_forum mailing list
JC> Pw_forum at pwscf.org
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.
More information about the users