[gpaw-users] ScaLAPACK MKL + Linux - ut_hsblacs fails

[Lasse Vilhelmsen]

  Hi Nichols,

I'm running gpaw with Intel MKL and the Intel compiler. I'm using it 
together with OpenMPI, but probably you can try with the same 
customize.py. My customize.py is as follows:

compiler='mpicc'
scalapack = True
libraries= []
mkl_lib_path = '/com/intel/Compiler/11.1/064/mkl/lib/em64t/'
extra_link_args = [
mkl_lib_path+'libmkl_intel_lp64.a',
mkl_lib_path+'libmkl_sequential.a',
mkl_lib_path+'libmkl_core.a',
mkl_lib_path+'libmkl_blacs_openmpi_lp64.a',
mkl_lib_path+'libmkl_scalapack_lp64.a',
mkl_lib_path+'libmkl_blacs_openmpi_lp64.a',
mkl_lib_path+'libmkl_intel_lp64.a',
mkl_lib_path+'libmkl_sequential.a',
mkl_lib_path+'libmkl_core.a',
mkl_lib_path+'libmkl_intel_lp64.a',
mkl_lib_path+'libmkl_sequential.a',
mkl_lib_path+'libmkl_core.a',
]
define_macros += [('GPAW_NO_UNDERSCORE_CBLACS', '1')]
define_macros += [('GPAW_NO_UNDERSCORE_CSCALAPACK', '1')]


Best Regards
Lasse Vilhelmsen

On 10/9/10 12:39 AM, Nichols A. Romero wrote:
> I forgot to add that these are the libraries that I am using:
> libraries = ['mkl_scalapack_lp64',
>               'mkl_blacs_lp64',
>               'mkl_intel_lp64',
>               'mkl_sequential',
>               'mkl_core']
>
> and MVA MPICH
>
> ----- naromero at alcf.anl.gov wrote:
>
>> Hi,
>>
>> Have there been any problems with the MKL version of ScaLAPACK?
>> I am trying to GPAW to work on a machine with Intel Nehalem
>> processors.
>>
>> Presently, the ut_hsblacs.py regression tests fails quite miserably.
>>
>>
>> -- 
>> Nichols A. Romero, Ph.D.
>> Argonne Leadership Computing Facility
>> Argonne National Laboratory
>> Building 240 Room 2-127
>> 9700 South Cass Avenue
>> Argonne, IL 60490
>> (630) 252-3441
>>
>> _______________________________________________
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>> gpaw-users at listserv.fysik.dtu.dk
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