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@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 <[email protected]> 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 <[email protected]> > > 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 > >> > [email protected] > >> > http://pwscf.org/mailman/listinfo/pw_forum > >> > >> > >> _______________________________________________ > >> Pw_forum mailing list > >> [email protected] > >> http://pwscf.org/mailman/listinfo/pw_forum > >> > > _______________________________________________ > > Pw_forum mailing list > > [email protected] > > http://pwscf.org/mailman/listinfo/pw_forum > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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