Parallel cp2k installation trouble
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
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
I got a better experience with ifortran which is not for free. From Intel
you can download MKL math kernel libraries
Isn´t that cute?
On Thursday, January 17, 2013 11:24:13 AM UTC-3, Jana wrote:
> 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
> 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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