Hello:
I've compiled parallel Siesta with Intel Fortran (a lot of work!) and now Siesta run... but it is not working fine. When I invoke Siesta, mpirun -np 4 /usr/local/bin/siestapar < tubo.fdf > tubo.out & it crashes and I see at the end of the file tubo.out: prinput: ---------------------------------------------------------------------- siesta: ******************** Simulation parameters **************************** siesta: siesta: The following are some of the parameters of the simulation. siesta: A complete list of the parameters used, including defect values, siesta: can be found in file out.fdf siesta: coor: Atomic-coordinates input format = Cartesian coordinates coor: (in Bohr units) coo: You must specify the atomic coordinates Stopping Program But that .fdf file works fine for serial Siesta! What is it? Thanks in advance, Roberto Veiga
