[molpro-user] How to debug molpro within gdb

[Benj FitzPatrick]

Thank you very much, that did the trick.
Benj

---- Original message ----
>Date: Thu, 27 Apr 2006 00:22:52 +0200 (CEST)
>From: Tatiana Korona <tania at tiger.chem.uw.edu.pl>  
>Subject: Re: [molpro-user] How to debug molpro within gdb  
>To: Benj FitzPatrick <benjfitz at uchicago.edu>
>Cc: molpro-user at molpro.net
>
>On Thu, 27 Apr 2006, Benj FitzPatrick wrote:
>
>> Hello,
>> I'm having problems running molpro from within gdb (I'm trying
>> to find the problem encountered in my previous post) because
>> the executable isn't called directly.  Man, info and google
>> didn't really seem to give me any good information on how to
>> work around a problem of this nature, so I'm sorry if this
>> should be posted elsewhere (a gdb list?).
>>
>> If I try to give gdb the script I use it chokes because the
>> script is not an executable.  If I give gdb the executable it
>> exits because it can't find the molpro registry.
>
>A variable LIBMOL should be defined, e.g. for bash
>export LIBMOL=$molpro/lib/
>
>Then you can use gdb for molpro.exe
>
>Best wishes,
>
>Tatiana
>
>
>Dr. Tatiana Korona
http://tiger.chem.uw.edu.pl/staff/tania/index.html
>Quantum Chemistry Laboratory
>University of Warsaw
>Pasteura 1, PL-02-093 Warsaw, POLAND
>
>`The man who makes no mistakes does not usually make anything.'
>                                        Edward John Phelps
(1822-1900)
>