Here are the different fdmnes routines: main.f90 clemf0.f90 coabs.f90 convolution.f90 diffraction.f90 dirac.f90 fdm.f90 fdmx.f90 fprime.f90 fprime_data.f90 general.f90 leture.f90 mat.f90 mat_solve_mumps.f90 metric.f90 minim.f90 optic.f90 potential.f90 scf.f90 selec.f90 spgroup.f90 sphere.f90 tab_data.f90 tddft.f90 tensor.f90 tools.f90 They must be compiled and linked together with the MUMPS, LAPACK and BLAS library. The MUMPS library also need '.h' files of the same release downloaded also for the MUMPS website. They are: dmumps_root.h dmumps_struc.h mpif.h zmumps_root.h zmumps_struc.h If no MUMS library are avalable mat_solve_mumps.f90 must be replaced by mat_solve_gaussian.f90 With sequential calculations not_mpi.f90 must also be compiled and linked. The program becomes then far less rapid. when no LAPAK and BLAS libraries are avalable, they can be replaced by sub_util.f (only without MUMPS) Thee makefile for sequential code using MUMPS library. Makefile_gaussian is an example of very simple makefile for sequential code using Gaussian solver without any library. For intel compiler, it seems that probems at execution are avoided when compiling sphere.f90 with O1 option in place of O2 option.