[gmx-users] Using flags to debug gromacs

[Marcela Madrid]

thanks, Mark. 

Marcela 

> On Sep 28, 2016, at 9:56 AM, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> 
> Hi,
> 
> The debug build type works perfectly for this case in the way you've done
> it, and it works with DDT. You need to make sure you point DDT at the
> correct binary from the build.
> 
> Mark
> 
> On Tue, Sep 27, 2016 at 9:31 PM Marcela Madrid <mmadrid at psc.edu> wrote:
> 
>> Hello,
>> 
>> I would like to know how to pass debugging flags when I build gromacs
>> so that I can see the variables that are been passed when the run gets
>> stuck
>> by using a debugger such as DDT. Can one use DDT with gromacs?
>> 
>> I tried in the build directory:
>> 
>> cmake .. -DGMX_BUILD_OWN_FFTW=ON -DGMX_FFT_LIBRARY=fftw3 \
>> -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_MPI=on  \
>> -DCMAKE_BUILD_TYPE=Debug \
>> -DCMAKE_INSTALL_PREFIX=/opt/packages/gromacs-5.1.3_g
>> 
>> This does not seem to pass any variables to the compilers.
>> I also tried
>> export CFLAGS="-g -traceback"
>> export CXXFLAGS="-g -traceback"
>> 
>> but also I do not see that flags are been passed.  Can someone tell me how
>> to add the flags
>> for debugging?
>> 
>> Thank you very much, Marcela
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