[gmx-users] Using flags to debug gromacs

Marcela Madrid mmadrid at psc.edu
Tue Sep 27 21:31:05 CEST 2016


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 


More information about the gromacs.org_gmx-users mailing list