Parallel cp2k installation trouble

Calvin47 vcal... at gmail.com
Thu Apr 10 17:38:22 CEST 2014


acml library is needed for AMD based CPU, you can download it free from 
AMDdevelopers
fftw3 library does Fast Fourier Transform in the West
as for blacs is a comunication subprogram for Basic Liner Algebra
Don't forget to compile everything with the same fortran. (gfortran or 
ifort)

I got a better experience with ifortran which is not for free. From Intel 
you can download MKL math kernel libraries
IsnĀ“t that cute?


On Thursday, January 17, 2013 11:24:13 AM UTC-3, Jana wrote:
>
>  Hi,
> I am trying to install parallel cp2k but I am having troubles with the 
> libraries needed
>
> According to the install instructions getting atlas with lapack and 
> scalapac should be enough to compile cp2k.
> So I have installed it but I got the atlas libraries
>
> libatlas.a
> libcblas.a
> libf77blas.a
> libf77refblas.a
> liblapack.a
> libptf77blas.a
> libptlapack.a
> libstalas.so
> libtatlas.so
> libstatlas.a
>
>
> but Linux-x86-64-intel.popt apparently requires another libs
>
> ifort: error #10236: File not found:  '/libblacs_init.a'
> ifort: error #10236: File not found:  '/libblacs.a'
> ifort: error #10236: File not found:  '/libacml.a'
> ifort: error #10236: File not found:  '/libacml_mv.a'
> ifort: error #10236: File not found:  '/libfftw3.a'
>
> I am confused now, 
> please could anybody help me?
>
> Sorry for a stupid question I have virtually no experience in this field...
>
>
>
>
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