[SIESTA-L] mpi denchar won't work

Dear SIESTA developers, Because denchar is rather slow to generate the .cube files for large systems, I would like to use the MPI version, and I think it should be very efficient. But I got the following error: forrtl: Illegal seek forrtl: severe (20): REWIND error, unit 5, file stdin Image

Re: [SIESTA-L] mpi denchar won't work

Cherry: Sorry, but despite the appearances, the denchar program is not quite setup to run in parallel yet. You will need to recompile it in serial mode (do 'make clean' in the top Src directory first). Make sure also that you are running version 2.0.1, which fixes a bug that prevented the progra