Hi, The message is quite clear, it appears to me that you don't have read/write permission. Since its not really related to QE installation, let's carry on this discussion elsewhere. I have already sent you an email via my GMail account. Surender
> hi surender, > > on running the configure command it shows the following error: > > [vipin@localhost fftw-3.3.4]$ ./configure --prefix="/home/vipin/fftw" > --enable-shared --enable-threads --enable-openmp F77=gfortran CC=gcc > FFLAGS=-O3 CFLAGS=-O3 > -bash: ./configure: Permission denied > [vipin@localhost fftw-3.3.4]$ ./configure > -bash: ./configure: Permission denied > > > can u please help. > > > Regards > > *Tushar Gupta.* > > On Fri, Feb 12, 2016 at 1:12 AM, Surender <[email protected]> > wrote: > >> Hi, >> You are right "fftw3.f" doesn't have to be in FFTXLib folder because QE >> doesn't provide it. And I think, you have already downloaded the >> fftw-3.3.4 package. Now you can try to compile it, follow these steps >> one >> by one >> (1) Go to fftw-3.3.4 folder >> (2) Let's say, you want to install the libraries in "/home/vipin/fftw" >> using GCC compilers, then run (its a single command) >> >> ./configure --prefix="/home/vipin/fftw" --enable-shared --enable-threads >> --enable-openmp F77=gfortran CC=gcc FFLAGS=-O3 CFLAGS=-O3 >> >> (3) If above step finishes with out error then run these two commands >> >> make all >> make install >> >> (4) If everything goes fine you will have your "fftw3.f" file in >> "/home/vipin/fftw/include" folder. You will also have to update the >> LD_LIBRARY_PATH. Add the following line into your bashrc (a hidden file >> in >> your home folder, it can be listed using "ls -a" command) >> >> export LD_LIBRARY_PATH="/home/vipin/fftw":${LD_LIBRARY_PATH} >> >> And run the following command >> >> . ~/.bashrc >> >> (5) Now go to your QE directory and follow the steps outlined in my last >> email. >> >> Surender >> >> > 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 >> >> >> > _______________________________________________ >> > 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
