[Pw_forum] Installation problem
Axel Kohlmeyer
akohlmey at gmail.com
Tue May 21 20:12:18 CEST 2013
On Tue, May 21, 2013 at 8:07 PM, Ben Palmer <benpalmer1983 at gmail.com> wrote:
> Hi Yantao,
>
> Also you may qualify for the intel compiler:
>
> http://software.intel.com/en-us/non-commercial-software-development
*very* unlikely. the intel web site explains in great detail that
using the non-commercial version for research work is not allowed. you
need an academic license. the fact that Q-E is open source doesn't
change a thing about this.
you qualify, if you use the non-commercial license for *developing*
non-commercial software *in your free time*. that is it.
axel.
>
> Ben
>
> Hi Axel,
>
> Thank you for your reply. But can you be more specific about how to override
> the compilers? In the User's Guide, the most relevant thing I could find was
> to modify some environment variables. But in the environment_variables.txt,
> I only found something about path setting, wget, parallelism, and image
> parallelization, none of which seems to be relevant to overriding the
> compilers.
>
> Thanks you,
> Yantao
>
>
> On Tue, May 21, 2013 at 9:53 AM, Axel Kohlmeyer <akohlmey at gmail.com> wrote:
>>
>> On Tue, May 21, 2013 at 6:45 PM, Yantao Wu <ywu at g.hmc.edu> wrote:
>> > Dear all,
>> >
>> > My administrator just installed gfortran44 (version 4.4), which is
>> > somewhat
>> > newer than 4.1.2. However, I don't he removed the 4.1.2 compiler. When I
>> > ran
>>
>> it is outdated just as well. gcc-4.7 is current and will soon be
>> succeeded by gcc-4.8
>>
>> > ./configure, it seemed that QE still recognized the 4.1.2 one instead of
>> > the
>> > 4.4 one. So in the case of two or more fortran compilers, what should
>> > one do
>> > to make QE realize that the newest version should be used?
>>
>> follow the installation instructions. they explain how to override the
>> compiler.
>> axel.
>>
>>
>> > Thanks for your time,
>> > Yantao Wu,
>> > Undergraduate Student
>> > Physics and Chemistry, HMC'15
>> >
>> >
>> > On Mon, May 20, 2013 at 9:47 PM, Yantao Wu <ywu at g.hmc.edu> wrote:
>> >>
>> >> Thank you very much, Surender. (I want to bake you cookies! ) I ran
>> >> ./configure again and it seems that I'm using gfortran-4.1.2 as well.
>> >>
>> >> Yantao
>> >>
>> >>
>> >> On Mon, May 20, 2013 at 2:41 PM, Surender <surender_kumar at iitb.ac.in>
>> >> wrote:
>> >>>
>> >>> Hi,
>> >>> I had a similar problem with GNU Fortran 4.1.2 compiler, and if you
>> >>> are
>> >>> using gfortran version < 4.5 then most probably its the compiler
>> >>> issue.Now
>> >>> either you can use a newer version gfortran or compile your code with
>> >>> Intel non-commercial compilers.
>> >>>
>> >>> Moreover, you can search pw-forum and may be you can find a better
>> >>> answer.
>> >>>
>> >>> http://www.democritos.it/cgi-bin/htsearch?words=
>> >>>
>> >>> Surender
>> >>> IIT Bombay
>> >>>
>> >>> > Hi all,
>> >>> >
>> >>> > When I ran example01 in PW, the following error resulted:
>> >>> >
>> >>> >
>> >>> >
>> >>> > ########################################################################################################################
>> >>> > # FROM IOTK LIBRARY, VERSION 1.2.0
>> >>> > # UNRECOVERABLE ERROR (ierr=1)
>> >>> > # ERROR IN: iotk_scan_end (iotk_scan.f90:241)
>> >>> > # CVS Revision: 1.23
>> >>> > # foundl
>> >>> > # ERROR IN: iotk_close_read (iotk_files.f90:746)
>> >>> > # CVS Revision: 1.20
>> >>> >
>> >>> >
>> >>> > ########################################################################################################################
>> >>> >
>> >>> > Does anyone know what this is referring to?
>> >>> > Thanks.
>> >>> >
>> >>> >
>> >>> > On Mon, May 20, 2013 at 1:04 PM, Paolo Giannozzi
>> >>> > <paolo.giannozzi at uniud.it>wrote:
>> >>> >
>> >>> >> On Mon, 2013-05-20 at 11:34 -0700, Yantao Wu wrote:
>> >>> >>
>> >>> >> > wouldn't this imply an error in the source files, which I'm sure
>> >>> >> > most people didn't encounter. Does anyone know why?
>> >>> >>
>> >>> >> some compilers are more picky than others. In this case, I do not
>> >>> >> see
>> >>> >> anything wrong in the syntax, so maybe your compiler has been too
>> >>> >> picky
>> >>> >>
>> >>> >> P.
>> >>> >>
>> >>> >> >
>> >>> >> >
>> >>> >> > Thanks
>> >>> >> >
>> >>> >> >
>> >>> >> > On Mon, May 20, 2013 at 10:38 AM, Surender
>> >>> >> > <surender_kumar at iitb.ac.in>
>> >>> >> > wrote:
>> >>> >> > Hi Yantao Wu
>> >>> >> >
>> >>> >> > May be you need to put a space between ENDIF and &
>> >>> >> > then do make clean and recompile the code
>> >>> >> >
>> >>> >> > Surender
>> >>> >> > IIT Bombay, India
>> >>> >> >
>> >>> >> > > Dear QE users,
>> >>> >> > >
>> >>> >> > > Recently I reinstalled QE-5.0.2 on my computer, but the
>> >>> >> > following error
>> >>> >> > > message resulted:
>> >>> >> > >
>> >>> >> > > "
>> >>> >> > > gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN
>> >>> >> > -D__STD_F95
>> >>> >> > -D__FFTW
>> >>> >> > > -I../include -I../../iotk/src -I../../Modules -I. -c
>> >>> >> > exx.f90
>> >>> >> > > In file exx.f90:1547
>> >>> >> > >
>> >>> >> > > ENDIF&
>> >>> >> > > 1
>> >>> >> > > Error: Expected terminating name at (1)
>> >>> >> > > "
>> >>> >> > >
>> >>> >> > > Do anyone recognize this message and suggest anyway to
>> >>> >> > help?
>> >>> >> > >
>> >>> >> > > Thank you very much.
>> >>> >> > > Yantao Wu,
>> >>> >> > > Undergraduate student
>> >>> >> > > Physics and Chemistry, HMC'15
>> >>> >> >
>> >>> >> > > _______________________________________________
>> >>> >> > > Pw_forum mailing list
>> >>> >> > > Pw_forum at pwscf.org
>> >>> >> > > http://pwscf.org/mailman/listinfo/pw_forum
>> >>> >> >
>> >>> >> > _______________________________________________
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>> >>> >> >
>> >>> >> > _______________________________________________
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>> >>> >>
>> >>> >> --
>> >>> >> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
>> >>> >> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>> >>> >> Phone +39-0432-558216, fax +39-0432-558222
>> >>> >>
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>> >>
>> >
>> >
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>>
>>
>> --
>> Dr. Axel Kohlmeyer akohlmey at gmail.com http://goo.gl/1wk0
>> International Centre for Theoretical Physics, Trieste. Italy.
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--
Dr. Axel Kohlmeyer akohlmey at gmail.com http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.
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