[molpro-user] How to debug molpro within gdb

Benj FitzPatrick benjfitz at uchicago.edu
Wed Apr 26 23:34:01 BST 2006

Thank you very much, that did the trick.

---- 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,
>Dr. Tatiana Korona
>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

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