[Molpro-user] Problems compiling 2008.1 on Altix

Berger Raphael berger at chem.helsinki.fi
Thu Aug 21 07:00:47 BST 2008

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

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
> _______________________________________________
> Molpro-user mailing list
> Molpro-user at molpro.net
> http://www.molpro.net/mailman/listinfo/molpro-user

More information about the Molpro-user mailing list