[molpro-user] Building molpro2002.6 parallel executable. Need help!

Matt Thompson thompsma at colorado.edu
Wed Nov 24 19:46:21 GMT 2004

On Wed, 2004-11-24 at 20:34 +0100, Reuti wrote:
> Quoting "Vadim V. Kislov" <kvv_bne at mail.ru>:
> > I expect that something may be wrong with my Global Arrays libraries, but
> > they seem to be installed properly.   
> > If you have any suggestion in solving this problem, your help will be greatly
> > appreciated.
> Did you also compile Global Arrays by using the Intel Compilers (at least for 
> the Fortran part) and tried to run the little included test.x program? - Reuti

Yeah, if test.x fails, the GA compilation didn't succeed.  I recently
did a molpro2002.6/ga-3.3.1/ifort-8.1 compile and I needed to hack GA to
work with ifort 8.1. 

I had to hack g/config/makefile.h so that it would recognize ifort 8.1.
The relevant line is 292:

diff -r g/config/makefile.h g-hack/config/makefile.h
<        _IFCV8= $(shell ifc -v  2>&1|egrep 8|awk ' /8.0/  {print "Y"}')
>        _IFCV8= $(shell ifc -v -quiet 2>&1|egrep 8|awk ' /8.1/  {print

This isn't the cleanest hack, but it works.  The -quiet supresses the
"ifc is ifort" nag so that grep-awk can work.

Learning just means you were wrong and they were right. - Aram
   Matt Thompson -- http://ucsub.colorado.edu/~thompsma/
   440 UCB, Boulder, CO  80309-0440
   JILA A510, 303-492-4662

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