[Molpro-user] Problems compiling 2008.1 on Altix

[Andy May]

The support team at Global Arrays are probably best placed to help with
this, please see:

http://www.emsl.pnl.gov/docs/global/mailinglists.html

for more details.

Best wishes,

Andy

Berger Raphael wrote:
> 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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>> Molpro-user at molpro.net
>> http://www.molpro.net/mailman/listinfo/molpro-user
>>
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