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

Patricia RP Barreto patricia at plasma.inpe.br
Mon Nov 8 21:40:22 GMT 2010


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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