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 it is outdated just as well.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 >> >>> >> > >> >>> >> > _______________________________________________ >> >>> >> > 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 >> >>> >> >> >>> >> -- >> >>> >> Paolo Giannozzi, Dept. Chemistry&Physics&Environment, >> >>> >> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy >> >>> >> Phone +39-0432-558216, fax +39-0432-558222 >> >>> >> >> >>> >> _______________________________________________ >> >>> >> 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 >> >> >> >> -- >> Dr. Axel Kohlmeyer akohlmey at gmail.com http://goo.gl/1wk0 >> International Centre for Theoretical Physics, Trieste. Italy. >> _______________________________________________ >> 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 -- Dr. Axel Kohlmeyer akohlmey at gmail.com http://goo.gl/1wk0 International Centre for Theoretical Physics, Trieste. Italy.