[molpro-user] molpro2010.1 installation in openSUSE 10.3

[Andy May]

Patricia,

1. You need -d and -W options to change the location of scratch files.
Please see the Molpro manual for details:

http://www.molpro.net/info/current/doc/manual/

2. Since you have the program running, you clearly do not need a Fortran
compiler. It looks to me that you have installed binary Molpro - it is
simply outputting that it was compiled with ifort. This is only for
information purposes (and mainly for helping us diagnose problems with
installations from source code), it is certainly not looking for the
compiler.

Best wishes,

Andy

On 08/11/10 21:40, Patricia RP Barreto wrote:
> Dear all,
> 
> I am new at molpro, just got my license, and not so good with the 
> operation system, sorry about that.
> 
> I am trying to install the molpro for few days by now without success. I 
> have a 64bit machine with openSUSE 10.3, I have installed the g95, 
> without problem, but I can´t configure the molpro´s directories and 
> fortran compiler.
> 
> 1. I opened the script, for serial installation, tried to define the 
> directories, then opened the script generated after installation, but 
> when I try to run molpro it doesn´t work, why?
> 
> When I try to run I got
> 
>   Primary working directories    : /tmp/patricia
>   Secondary working directories  : /tmp/patricia
>   Wavefunction directory         : /home/patricia/wfu/
>   Main file repository           : /tmp/patricia/
> 
> 
> but I want:
> 
>   Primary working directories    : /home/scratch/smolpro1
>   Secondary working directories  : /home/scratch/smolpro2
>   Wavefunction directory         : /home/scratch/wfu/
>   Main file repository           : /home
> 
> 
> The /home/scratch directory is a 500gb hard disk only for scratch files 
> and all the others files and directories are in another smaller hard 
> disk, that is why I want the working directories at /home/scratch, so 
> where do I set theses directories?
> 
> 2. I installed the g95, set it in my .profile, but molpro is looking for 
> another fortran compiler, that I don´t have, instead of g95
> 
>   FC        : /opt/intel/Compiler/11.1/073/bin/intel64/ifort
> 
> 
> Can somebody help me?
> 
> Thanks
> 
> Patricia
> 
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