[Molpro-user] Problems compiling 2008.1 on Altix

[Berger Raphael]

Hello Gerald,

may I interfere at this point with a closely related question?

Recently I desperatly tried to compile GA with our pgf, but failed.
I seemed to me, that GA insists on ifort.

Any idea?

Thank You and best regards

----------------------------------------------
Dr. Raphael J. F. Berger

Anorganische Chemie und Strukturchemie
Universitaet Bielefeld
Fakultaet fuer Chemie
Universitaetsstr. 25
D-33615 Bielefeld
Germany

Tel.: ++49-521-106 2143 Labor
       ++49-521-106 6164 Buero
Email: raphael.berger at uni-bielefeld.de (off.)
                berger at chem.helsinki.fi (priv.)
----------------------------------------------


On Wed, 20 Aug 2008, Gerald Knizia wrote:

> On Wednesday 20 August 2008 22:34, Shawn T. Brown wrote:
>> I am trying to compile the new version 2008.1 that I downloaded from
>> the website.  While compiling in the Molcas directory, I am getting
>> the following error:
>> [..]
>> eafmod.F(22): #error: can't find include file: eaf.fh
>
> This tends to happen when doing parallel builds and the MPP options are not
> specified like configure likes them. Calling configure like this, for
> example:
>   configure -mpp -mppbase /home/knizia/libs/ga-4-0-8/  [other options]
> usually does the trick (you may need to delete the CONFIG and CONFIG.* files
> before doing this again).
>
> Note also that global arrays needs to be compiled with the same
> compiler/platform infrastructure as Molpro. If GA is compiled for 32bit linux
> and Molpro is compiled for 64bit linux, this could also result in the
> compilations problems you are seeing.
> -- 
> Gerald Knizia
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