Optimization of ABINIT 6.0.2 using Intel Compilers/MKL on a Linux/SGI Altix/Itanium platform

[Martin_H]

Dear Sir or Madam,

at the LRZ computing center Garching, Munich (www.lrz.de) we are currently trying to optimize the ABINIT software (www.abinit.org) version 6.0.2 on various platforms using Intel compilers and libraries for scientific use at the Technical University Munich and at Munich University of Applied Sciences.

We managed to get a working parallel built using the Intel Fortran compiler version 10.1. We are interested in further optimizations using Intel MKL libraries or different compiler options/flags. The current configuration is documented in an ABINIT forum thread at http://forum.abinit.org/viewtopic.php?f=3&t=221

We would appreciate any help on how to achieve a maximum optimized production version for following platforms:

i.   Linux/SGI Altix/Itanium
ii.  Linux/x86_64/Opteron
iii. Linux/ia64

We intend to use the first platform intensively, as the HLRBII-supercomputer consists of SGI Altix nodes. For further information please see 
  http://www.lrz-muenchen.de/services/compute/hlrb/hardware/index.html

If you need any additional information, please do not hesitate to contact me or Momme Allalen (Momme.Allalen@lrz.de). 

Kind regards,
Martin Haeufel

TU Munich, WSI (T33)
www.wsi.tum.de

[Gennady_F_Intel]

Hello Martin,

guote:"We are interested in further optimizations using Intel MKL libraries or different compiler options/flags"

Based on our registration center data, LRZ uses the valid version of the latest MKL versions ( bundled with Intel Fortran Compiler ).Do you have the concrete suggestions for the further improving of MKL?Can you provide more details for that?

--Gennady