[Pw_forum] MKL libraries

[Vo, Trinh (388C)]

Hi Vit and Huiqun,

Thanks a lot for your help.

Trinh


On 5/18/10 8:45 PM, "Huiqun Zhou" <hqzhou at nju.edu.cn> wrote:

Hi,

You'd better use sequential version of MKL for MPI parallelization. For example,
when you configure qe-espresso,

./configure ......
......
BLAS_LIBS="-L$(MKLROOT)/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core"
LAPACK_LIBS=""
......


Huiqun Zhou
@Earth Sciences, Nanjing University


----- Original Message -----

From:  Vo, Trinh  (388C) <mailto:Trinh.Vo at jpl.nasa.gov>

To: PWSCF Forum <mailto:pw_forum at pwscf.org>

Sent: Wednesday, May 19, 2010 3:49  AM

Subject: [Pw_forum] MKL libraries


Dear PWSCF Users,

I am compiling QE 4.1.2 with  Intel compiler 11.1.038.   I go to the following link to find which  libraries for my system.  I am not sure which of the following is the  better choice for compiling with QE: sequential or multi-threaded version of  Intel® MKL. If any of you have  experience with this, could you give me  some advise.

Thank you very much in advance,

Trinh  Vo
Computing Group
JPL/CalTech



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