Shuangxing Dai wrote:
Dear all,   I was trying to use Xcode to debug the file mdrun and hope to
trace the flow of source file by running a simple case. There is a tutorial
for using Xcode to debug a package named apbs, which is very like Gromacs,
here:
http://www.macresearch.org/tutorial-introducing-xcode-30-organizer
I
followed the tutorial and it works well for apbs. But when I did the
same thing for Gromacs, I can only see the assemble code for mdrun and
it was not connected to the source code. Only assemble code does not
help. So my question is:
anyone know how to use Xcode to debug Gromacs executable file? I need
the breakpoints to be related with the source code so that I can trace
the flow.

As I commented in an email to Harold a little while back...

There is no substitute for getting a debugger and stepping through a run of 
GROMACS built with CFLAGS=-g to understand the flow of the code.

Symbolic information used by a debugger is added by the compiler and linker in response to an explicit request. I cast a quick eye over that tutorial, and didn't see it mention this point, so Xcode must be doing some magic behind the scenes that doesn't serve to educate the user.

So, setting the CFLAGS environment variable as above, or using

./configure --your-options CFLAGS="-g -anyotheroptions"

will provide the symbolic information.

Mark
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