[CPMD-list] Dual dual-core opteron - MPI and Ifort effort

[Matus Dubecky]

Hello CPMD comunity, 
 
 I have new workstation (only one node) with 2xDual-core Opteron (4 cores),
 and I want to build-up/install/compile cpmd in 64bit mode with MPI/SMP support (I hope this is way how to utilize all cores of my system for one parralel computation) but I do not know which packages are neccessary and how to force my system to work properly without  spending so much time with this task. Operating system I am currently using is the Suse Linux 10.1.
 
 I am newbie in this field, so I have following questions(maybe stupid):
 
 Some time ago, Intel was offering EM64T edition of fortran compilers (compatible with Opteron/Athlon64), like personal non-comercial license. I have this kind of license - version 9.0.021 and I successfully built sequential version of cpmd on AMD Athlon64. I want to know, Is it possible to build up parralel cpmd binary with this compiler? (to use it for compiling mpi?)
 
 How to compile some MPI package (?LAM/MPI, MPICH or OpenMPI?) supported by cpmd, with my ifort 9.0.021 without icc? Is that possible to finish this task without C/C++ compiler from the same vendor?
 
 What kind of math libraries are the best for AMD Opteron system?
 I know that I need math libs, but there is a little bit mismatch for me with this...
 BLAS,LAPACK,ACML,MKL & so on..what is neccessary? which is possible to use simultaneously? Is it possible to use ACML libs from AMD with ifort? (AMD is not offering IFORT precompiled libs)
 Is it possible to use MKL on AMD platform?
 Is it possible to compile binaries what I need on the other system with same type of processor and operating system and run it properly on mine?
 
 All suggestions are greatly appreciated.
 Thanks for your time.
 Kind regards,
 Matus Dubecky.
 
 



   
 		
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