[SIESTA-L] Floating point exception

2014-01-30 Por tôpico bedamani singh
Dear Siesta Users, I am calculating force using siesta. I have used same geometry, same .psf, same type of INPUT.fdf and same number of processors (in siesta-mpi run) for 60 siesta jobs. All are completed without any error except one in which I have got the following error message- ...

Re: [SIESTA-L] Compilation error in MPI

2013-03-20 Por tôpico bedamani singh
> far as I know, a standard Fortran compiler > and not a MPI-compliant compiler, are you using links/aliases (which would > be a bad idea)? > > The fortran MPI compiler is, most likely, named mpif90 (from OpenMPI > version >=1.7 it will be advised to use "mpifort"). > &g

Re: [SIESTA-L] Reg: gnuplot

2012-12-02 Por tôpico bedamani singh
Dear Bahadur, This forum is not for teaching gnuplot. On Sun, Dec 2, 2012 at 1:56 PM, Dr. Amar Bahadur wrote: > Dear Siesta- users, > I have installed gnuplot on UBUNTU operating > system. Now, how Fe.band is plotted using gnuplot. Please help? > > -- > Kind Regards. >

Re: [SIESTA-L] Problem with bandstructure of graphene

2012-09-22 Por tôpico bedamani singh
t;> >> mistake >> >> > >> >> > On Mon, Sep 17, 2012 at 4:30 PM, Roland Gillen >> >> > wrote: >> >> > >> >> >> Hi, >> >> >> >> >> >> you might want to check t