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

[Grant Hill]

I don't think Molpro is looking for any Fortran compiler. It is simply stating which Fortran compiler was used when somebody made the Molpro binary.

If this isn't what's happening, perhaps you can try to explain what the problem is in a little more detail. What error are you receiving?

Grant


On 9 Nov 2010, at 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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