Re: [SIESTA-L] MPI interface

2007-04-13 Thread Vasilii Artyukhov
No, I'm pretty sure that I'm making a parallel SIESTA, otherwise the problem would not arise. I think by now I've managed to correct this problem, although the use of other interfaces remains an open question. The problem was indeed with the suffixes. Thanks for your help. 2007/4/13, bipul rakshi

Re: [SIESTA-L] MPI interface

2007-04-13 Thread bipul rakshit
hello vasilii, i think you are installing it in serial mode... here is an arch.make file i send you as an attachment i use it in mu AIX IBM machine and work well but with xlf95 Vasilii Artyukhov <[EMAIL PROTECTED]> wrote: Dear everyone, I'm trying to compile SIESTA on a PowerPC/Linux clu

[SIESTA-L] MPI interface

2007-04-13 Thread Vasilii Artyukhov
Dear everyone, I'm trying to compile SIESTA on a PowerPC/Linux cluster with xlf. When I compile libmpi_f90.a, Interfaces.f90 gives me lots of "expression must be evaluated at compile-time" kind errors. My guess is that something's wrong with the dependency rules in the arch.make, but I don't know

Re: [SIESTA-L] NonCollinear-Magnetism

2007-04-13 Thread Gul Rahman
Hello users: Can we use SIESTA for NonCollinear-Magnetism only within GGA? Thnx. G.Rahman Gul Rahman Gul Rahman Computational Physics Lab Department of Physics University of Ulsan Republic of Korea -