LAMMPS

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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.