[Molpro-user] Problems compiling 2008.1 on Altix

Gerald Knizia knizia at theochem.uni-stuttgart.de
Wed Aug 20 22:49:54 BST 2008

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 
   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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