LAMMPS
To compile LAMMPS on helios.cs.uoregon.edu,
% cd ~sameer/apps/lammps-3Jun05 % cd src % mpicxx -c *.cpp -DFFT_FFTW -DGZIP -I/usr/local/packages/fftw-2.1.5/include % mpicxx *.o -o lammps -L/usr/local/packages/fftw-2.1.5/lib -lfftw % cd .. % cd examples/indent % mpirun -np 4 ./lammps < in.indent
There is a MAKE directory there with makefiles that you can edit.