[lammps-users] Re4: TIP4P model for water

Dear Ahmed,

I did not compile LAMMPS with FFTW option, and I can not use PPPM solver.

I am wondering when the new version will be released (it might be Jan, 2010).

Thanks,

2009/12/9 Jervis Chu <[email protected]…1193…>

Dear Ahmed,

I did not compile LAMMPS with FFTW option, and I can not use PPPM solver.

I am wondering when the new version will be released (it might be Jan, 2010).

Steve can answer about when the next update of LAMMPS will occur. However, waiting for the new version won’t make any difference for the issue of setting up a TIP4P simulation, as I’m not aware of any changes being made to the PPPM methods.

Just because you compiled LAMMPS without FFTW, doesn’t mean you can’t use the same release to compile a version with FFTW and PPPM. You can compile more than one version at a time. (If you edit a Makefile, give it a new name before compiling, so that you don’t overwrite the old executable when you recompile.)

–AEI