[Molpro-user] Problems compiling 2008.1 on Altix

[Shawn T. Brown]

Thanks for both responses, now that I know this is from GA, it all  
makes sense.

Cheers,
Shawn

On Aug 20, 2008, at 5:49 PM, 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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Shawn T. Brown
Senior Scientific Specialist
Pittsburgh Supercomputing Center
300 S. Craig St.
Pittsburgh, PA 15213
Phone:       412-268-4635
Email:        stbrown at psc.edu
Website:    www.psc.edu
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