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

Andy May MayAJ1 at cardiff.ac.uk
Tue Nov 9 15:33:16 GMT 2010


As I wrote in my earlier reply:


Molpro is not looking for the Intel compiler. You do not need a Fortran
compiler to run binary versions of Molpro.

It looks to me as though you have Molpro installed and working, and you
can start using it.

Best wishes,


On 09/11/10 14:35, Patricia Barreto wrote:
> Thanks for the reply, but the problem is I don´t have the intel fortran, 
> ifort, installed in my machine, the only fortran compiler I have is the 
> g95 that I installed before I installed the molpro. I can´t understand 
> why molpro is looking for ifort instead of g95.
> Patricia
> Em 9/11/2010 05:51, Konstantin Tokarev escreveu:
>> 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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