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@DELL ~ $ ssh [email protected] [email protected]'s password: Last login: Thu Feb 11 18:48:39 2016 from 10.111.102.54 [vipin@localhost ~]$ ls Desktop DFTBP fftw-3.3.4 Quantum_Espresso [vipin@localhost ~]$ cd Quantum_Espresso/ [vipin@localhost Quantum_Espresso]$ ls espresso-5.3.0 espresso-5.3.0.tar.gz [vipin@localhost Quantum_Espresso]$ cd espresso-5.3.0 [vipin@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@localhost espresso-5.3.0]$ *Tushar Gupta.* On Thu, Feb 11, 2016 at 10:02 PM, Surender <[email protected]> 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@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 > >> > > _______________________________________________ > > 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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