[Pw_forum] fft_scalar_MOD_cfft3d at fft_scalar.f90:1218 error in vc-relax

[Filippo Spiga]

Under "/opt/intel/composer_xe_2013.3.163/bin" you will find some script
that help to set the environment on your machine (yes, you need to export
all PATH and LD_LIBRARY_PATH otherwise QE will never recognize the Intel
compiler during the configure step.

This is what you want to do (assuming a 64bit linux machine)

source /opt/intel/composer_xe_2013.1.163/bin/ifortvars.sh intel64
source  /opt/intel/composer_xe_2013.1.163/bin/iccvars.sh intel64
source /opt/intel/composer_xe_2013.1.163/mkl/bin/mklvars.sh intel64
export MKL_LIB= /opt/intel/composer_xe_2013.1.163/mkl/lib/intel64

F

--
Mr. Filippo SPIGA, M.Sc.
http://filippospiga.me ~ skype: filippo.spiga

«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert



On Wed, Apr 10, 2013 at 5:41 PM, Bramha Pandey <pandey.bramha at gmail.com>wrote:

> Dear Paolo Sir,
> i have used the internal FFTW (removing all FFTW3 library etc) and compile
> it now it is working without giving above error.
> i have also downloaded ifort (l_fcompxe_2013.3.163) compiler which
> contains MKL library.
> But due to my bad luck, i am not able to linked it with my configure file.
> The installed directory of ifort is /opt/intel/composer_xe_2013.3.163/.
> i have also seek the help of intel linker helper site but unable to solve
> my linking problem.
> Dear sir if you have some suggestion, please help me.
>
>
> On Mon, Apr 8, 2013 at 9:40 PM, Bramha Pandey <pandey.bramha at gmail.com>wrote:
>
>> Dear Paolo,
>> I will try with your settings but it will take some time for me because i
>> have no MKL library.
>> so after getting it, i will let you know whether it is working or not in
>> my case.
>> Thank you very mush for your kind help.
>>
>>
>>
>> On Mon, Apr 8, 2013 at 4:06 PM, Paolo Giannozzi <paolo.giannozzi at uniud.it
>> > wrote:
>>
>>> On Sun, 2013-04-07 at 19:46 +0545, Bramha Pandey wrote:
>>>
>>> > I am using external FFTW v.3 (-D__FFTW3 in make.sys) and FFT_LIBS
>>> > =  -lfftw3
>>>
>>> I cannot reproduce it with the FFTW interface of the MKL
>>> library. It might depend upon you fftw3 library.
>>>
>>> P.
>>>
>>> --
>>>  Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
>>>  Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>>>  Phone +39-0432-558216, fax +39-0432-558222
>>>
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>
>>
>>
>>
>> --
>> Thanks and Regards
>> Bramha Prasad Pandey
>> Indian School of Mines(ISM)
>> Dhanbad, INDIA.
>>
>
>
>
> --
> Thanks and Regards
> Bramha Prasad Pandey
> Indian School of Mines(ISM)
> Dhanbad, INDIA.
>
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