[Pw_forum] Regarding the installation problem in running configure.

[Surender]

Hi
Even for CentOS the procedure is same, first locate fftw3.f file by running
locate fftw3.f (in terminal)

=== sample output ====
/export/apps/fftw3/intel/float/include/fftw3.f
/export/apps/intel/Compiler/11.1/069/mkl/include/fftw/fftw3.f
/export/apps/intel/Compiler/11.1/073/mkl/include/fftw/fftw3.f

So my fftw3.f is located in /export/apps/fftw3/intel/float/include (if
available, you can try the intel version as well), now change your IFLAGS
in make.sys file and it should look like

IFLAGS         = -I../include  -I/export/apps/fftw3/intel/float/include

And if it doesn't work the copy and paste the fftw3.f file in FFTXlib
folder in espresso-5.3.0. If you can't locate fftw3.f then you will have
to ask your sysadmin either to locate or install the same.

Surender Kumar

PS : Both options worked for me (Cluster with CentOS release 5.4)

> Hi surender
> my OS is centOS.
>
> Thanks.
> Tushar
>
> *Tushar  Gupta.*
>
> On Thu, Feb 11, 2016 at 2:19 AM, Surender <surender_kumar at iitb.ac.in>
> wrote:
>
>> Hi Tushar,
>>
>> You didn't mentions your OS so I assume its Ubuntu and you have already
>> installed "libfftw3-dev" package. Now you can try the following, first
>> find out the location of "fftw3.f" and then add it to your IFLAGS in
>> "make.sys" file. For Ubuntu 12.04 LTS this file is located in
>> "/usr/include/". After adding to IFLAGS, it should look like
>>
>> IFLAGS         = -I../include  -I/usr/include/
>>
>> If above doesn't work, then try to copy the file into FFTXlib folder
>> located in your main QE directory and have look at the discussion
>> http://www.mail-archive.com/pw_forum%40pwscf.org/msg27600.html
>>
>> HTH
>> Surender Kumar
>>
>> > Dear all,
>> >
>> > I am a novice to this field of computational studies and i am trying
>> to
>> > install quantum espresso version 5.3.0 in linux so as I run the
>> > configuration file I am getting an error which says unable to find a
>> > fftw3.f file. I am unable to figure out what to do next.
>> > I will be even more grateful if any body could suggest me a good
>> reference
>> > so that I can clear my basics in this field of computational studies
>> > particularly with this quantum espresso.
>> > Please try to respond in a simplest manner possible.
>> >
>> >
>> > Thanks and Regards:
>> > *Tushar  Gupta.*
>> > _______________________________________________
>> > Pw_forum mailing list
>> > Pw_forum at pwscf.org
>> > http://pwscf.org/mailman/listinfo/pw_forum
>>
>>
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