[Pw_forum] Regarding the installation problem in running configure.
Surender
surender_kumar at iitb.ac.in
Fri Feb 12 11:08:51 CET 2016
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 at 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 at 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 <surender_kumar at iitb.ac.in>
> 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 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
>> >>
>> > _______________________________________________
>> > 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
More information about the users
mailing list