[SIESTA-L] Fwd: [SIESTA-L] symbol lookup error

2006-07-12 Thread Weili Wang
-- Forwarded message -- From: Weili Wang <[EMAIL PROTECTED]> Date: Jul 9, 2006 11:48 AM Subject: Re: [SIESTA-L] symbol lookup error To: "Siesta, Self-Consistent DFT LCAO program, http://www.uam.es/siesta"; < [EMAIL PROTECTED]> Cc: SIESTA-L@listserv.uam.es Dear Lucas and Siesta us

[SIESTA-L] Siesta 2.0 on CRAY XT3 (in CSCS)

2006-07-12 Thread Oleg Yazyev
Dear Siesta Users, I'm trying to use Siesta 2.0 on the CRAY XT3 machine in CSCS. There is no problem to compile the code (cscs-cray-mpi.make included in 2.0 distribution works just fine). However, the resulting code works incredibly slow! More than an order of magnitude slower than on a usual Opte