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

Konstantin Tokarev annulen at yandex.ru
Tue Nov 9 07:51:29 GMT 2010

09.11.2010, 00:40, "Patricia RP Barreto" <patricia at plasma.inpe.br>:
> 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?

Why do you need g95 when you already have ifort? Just use it!


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