[Pw_forum] Regarding the installation problem in running configure.

Thu Feb 11 18:59:26 CET 2016

hi surender,
actually FFTXLib is already there below I have list all the tools of my
espresso library but it does not have that file fftw3.f what should I do
now?

inspiron at DELL ~
$ ssh vipin at 10.111.102.145
vipin at 10.111.102.145's password:
Last login: Thu Feb 11 18:48:39 2016 from 10.111.102.54
[vipin at localhost ~]$ ls
Desktop  DFTBP  fftw-3.3.4  Quantum_Espresso
[vipin at localhost ~]$ cd Quantum_Espresso/
[vipin at localhost Quantum_Espresso]$ ls
espresso-5.3.0  espresso-5.3.0.tar.gz
[vipin at localhost Quantum_Espresso]$ cd espresso-5.3.0
[vipin at localhost espresso-5.3.0]$ ls
archive    COUPLE     environment_variables  include   make.sys  PW
bin        CPV        FFTXlib                install   Modules   README
clib       dev-tools  flib                   License   PP
configure  Doc        foo                    Makefile  pseudo
[vipin at localhost espresso-5.3.0]$

*Tushar  Gupta.*

On Thu, Feb 11, 2016 at 10:02 PM, Surender <surender_kumar at iitb.ac.in>
wrote:

> Hi,
> I will suggest you to first ask the system administrator whether he had
> already installed the FFTW library somewhere? If he hadn't then you can
> ask him to do the same or you can install it in your home directory (I can
> help with the installation).
>
> Surender
>
> > Thank you so much surender but as I runned the locate fftw.f command it
> > showed the following response. it is not able to find the concerned
> > directory.
> >
> > [vipin at localhost espresso-5.3.0]$ locate fftw3.f
> > warning: locate: could not open database: /var/lib/slocate/slocate.db: No
> > such file or directory
> > warning: You need to run the 'updatedb' command (as root) to create the
> > database.
> > Please have a look at /etc/updatedb.conf to enable the daily cron job.
> >
> > Regards:
> > Tushar
> >
> >
> > *Tushar  Gupta.*
> >
> > On Thu, Feb 11, 2016 at 3:47 PM, Surender <surender_kumar at iitb.ac.in>
> > wrote:
> >
> >> 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
> >> >>
> >> >>
> >> >> _______________________________________________
> >> >> Pw_forum mailing list
> >> >> Pw_forum at pwscf.org
> >> >> http://pwscf.org/mailman/listinfo/pw_forum
> >> >>
> >> > _______________________________________________
> >> > Pw_forum mailing list
> >> > Pw_forum at pwscf.org
> >> > http://pwscf.org/mailman/listinfo/pw_forum
> >>
> >>
> >> _______________________________________________
> >> Pw_forum mailing list
> >> Pw_forum at pwscf.org
> >> http://pwscf.org/mailman/listinfo/pw_forum
> >>
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160211/7b7d40e9/attachment.html>