[gmx-developers] Gromacs debugging and making a tools library
baaden at smplinux.de
Fri Aug 2 19:52:41 CEST 2002
two unrelated questions, first about Gromacs and debugging. How do
you properly compile the whole Gromacs tree for debugging ? Should
you give an option to configure, or just do
make -CFLAGS=" -g -Wall " ?
also, where does the -DDEBUG flag need to be defined. Is it as CPPFLAGS, .. ?
BTW, I just tried out ddd, which is a very nice graphical debugger
based on gdb (but can also use other debuggers).
The second question concerns the gromacs tools/analysis programs. Is
it (easily) possible to build a library with all the subroutines that
are used in those programs ? At the moment I usually copy the source
file and then make my modifications, which is often only adding another
subroutine. So a lot of things are double.
I also (dirtily) link in object files from the gromacs tree, which I
would rather not. So a library seems a nice option.
Dr. Marc Baaden - Laboratory of Molecular Biophysics, Oxford University
mailto:baaden at smplinux.de - ICQ# 11466242 - http://www.marc-baaden.de
FAX/Voice +49 697912 39550 - Tel: +44 1865 275380 or +33 609 843217
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