[CPMD-list] Installing CPMD on the MAC-Intel platform

[Yaser Rehem]

Thank you FX and Axel!

FX, I'll try your suggestions.

Cheers,

-Yaser

-----Original Message-----
From: Axel Kohlmeyer [mailto:akohlmey at cmm.chem.upenn.edu] 
Sent: Thursday, October 19, 2006 9:57 AM
To: François-Xavier Coudert
Cc: Yaser Rehem; cpmd-list at cpmd.org
Subject: Re: [CPMD-list] Installing CPMD on the MAC-Intel platform

On Thu, 19 Oct 2006, François-Xavier Coudert wrote:

FX> 
FX> > well, there is a little more to it. as that configuration 
FX> > assumes a Linux OS and some of (few) system specific 
FX> > subroutines make use of features only available there
FX> > and not on a mac. as i wrote before, with a little bit
FX> > of hacking, it can probably be done rather easily.
FX> > but it is not a 'just use the right makefile' kind of job.
FX> >   
FX> Right. You need to comment out the line:
FX>         stdout=fopen("/dev/null", "w+");
FX> in sysdepend.c, changing it into
FX>         /* stdout=fopen("/dev/null", "w+"); */

FX> 
FX> Apart from that, the Makefile I indicated does the job. (I just tested 
FX> this assertion)

cool. looks like the rest of the linux specific stuff 
does a reasonable job on a non-linux machine (i changed
some of that to fall back gracefully a long time ago, 
but never had a machine to test this easily). however, 
don't run any path-integral jobs with a binary like that. ;-)

axel.

FX> 
FX> Regards,
FX> FXC
FX> > cheers,
FX> >    axel.
FX> >
FX> > FX> 
FX> > FX> Regards,
FX> > FX> FX
FX> > FX> 
FX> >
FX> >   
FX> 
FX> 

-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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