Hi Elio
For what it is worth, I followed the instructions on
the EPW web site, and the program compiled flawlessly.
Sorry, I don't know how to use/run it,
don't have the time to learn it, and won't even try.
**
1) Environment:
If your MPI/OpenMPI is not installed in a standard location,
you need to setup these environment variables:
[bash/sh]
export PATH=/your/openmpi/bin:$PATH
export LD_LIBRARY_PATH=/your/openmpi/lib:$LD_LIBRARY_PATH
[tcsh/csh]
setenv PATH /your/openmpi/bin:$PATH
setenv LD_LIBRARY_PATH /your/openmpi/lib:$LD_LIBRARY_PATH
**
2) Configuring QE:
In step 2, I separated the final configure step, to set the compilers to
Intel.
I used OpenMPI compiled with intel, hence I
configured QuantumEspresso with Intel compilers:
./configure CC=icc FC=ifort
NOTE: You may need to use tar zxf ... instead of tar xfz ...
**
3) Untar EPW in the correct location
Step 3 should be as below.
(You need to untar EPW inside the espresso-4.0.3 directory.
Could this have been the problem for you?):
cp EPW-3.0.0.tar.gz espresso-4.0.3/
cd espresso-4.0.3/
tar zxf EPW-3.0.0.tar.gz
**
4) Run make to compile EPW
The compilation in step 4 takes a while, is long, but works fine,
and produces the epw.x executable as expected.
**
5) Old version issue, perhaps?
Also, you said you "installed the older version of quantum espresso".
Could this have been the problem (older version)?
Did you try the latest QE (4.0.3), and the latest EPW (3.0.0),
as per the recipe on the EPW web site?
http://epw.org.uk/Main/DownloadAndInstall
**
I hope this helps,
Gus Correa
On 09/03/2014 06:48 PM, Elio Physics wrote:
I have already done all of the steps you mentioned. I have installed the
older version of quantum espresso, configured it and followed all the
steps on the EPW website when I got that error in the last steo; In fact
I do have the latest version of quantum espresso but since I work with
electron phonon and EPW seemed really promising and less time consuming,
I decided to give it a try.
The reason I have asked my question in this forum because once I had a
similar "compiler" issue (not the same as this one) and when i asked on
the Quantum Espresso (QE) website, one of the answers was, this is not
the right since this is a compiler problem not a QE issue so I was
really trying to avoid such answers.
Anyhow, I guess you are absolutely right. I will try to e-mail the EPW
people and explain the situation; after all they should be able to help.
Thanks for your advice and time.
ELIO MOUJAESS
University of Rondonia
Brasil
> Date: Wed, 3 Sep 2014 18:19:25 -0400
> From: g...@ldeo.columbia.edu
> To: us...@open-mpi.org
> Subject: Re: [OMPI users] compilation problem with ifort
>
> It is hard to tell why, but the object files (yes a2f.o, etc)
> seem not to have been compiled from the corresponding source files
> (a2f.f90 or similar).
>
> In general the executable (your epw.x) is compiled only after all
> the pre-requisite object files (the .o) and modules (the .mod)
> have been compiled already.
> In many cases there is not only one Makefile, but a chain/tree of
> them, to compile the code in the source directory tree (under src).
>
> Also, it is a bit awkward that you don't seem to
> have configured anything,
> i.e., telling where MPI was installed, etc,
> but that may just not be in your email.
>
> Phonons is not my league, just trying to help, but afraid I may
> not take you in the right direction.
>
> Did you do the installation as per the EPW web site? (I just found it):
> http://epw.org.uk/Main/DownloadAndInstall
> It seems to require QuantumExpresso.
> Did you get it, configure it, etc?
>
> Do they have a mailing list or bulletin board where you could get
> specific help for their software?
> (Either on EPW or on QuantumExpresso (which seems to be required):
> http://www.quantum-espresso.org/)
> That would probably be the right forum to ask your questions.
>
> My two cents,
> Gus Correa
>
>
> On 09/03/2014 05:51 PM, Elio Physics wrote:
> > This was the first error yes. What do you mean other files are missing?
> > Do you mean the atom.o, basic_algebra_routines.o.......? Well the f90
> > files present in the src subdirectory start from a2f.90
> > , allocate_epwq.o,...and so on... I am not also sure why there is that
> > slash "\" just before the "a2f.o".... Is there a way to know what is
> > going on? I mean what are the first steps?
> >
> > Thank you
> >
> > ELIO MOUJAES
> > Univeristy of Rondonia
> > Brazil
> >
> > > Date: Wed, 3 Sep 2014 17:43:44 -0400
> > > From: g...@ldeo.columbia.edu
> > > To: us...@open-mpi.org
> > > Subject: Re: [OMPI users] compilation problem with ifort
> > >
> > > Was the error that you listed the *first* error?
> > >
> > > Apparently various object files are missing from the
> > > ../../Modules/ directory, and were not compiled,
> > > suggesting something is amiss even before the
> > > compilation of the executable (epw.x).
> > >
> > > On 09/03/2014 05:20 PM, Elio Physics wrote:
> > > > Dear all,
> > > >
> > > > I am really a beginner in Fortran and Linux. I was trying to
compile a
> > > > software (EPW). Everything was going fine (or maybe this is what I
> > think):
> > > >
> > > > mpif90 -o epw.x ../../Modules/atom.o
> > > > ../../Modules/basic_algebra_routines.o ../../Modules/cell_base.o
> > > > ../../Modules/check_stop.o ../../Modules/clocks.o
> > > > ../../Modules/constraints_module.o ../../Modules/control_flags.o
> > > > ../../Modules/descriptors.o ../../Modules/dspev_drv.o
> > > > ../../Modules/electrons_base.o ../../Modules/error_handler.o
> > > > ../../Modules/exc_t.o ../../Modules/fft_base.o
> > > > ../../Modules/fft_parallel.o ../../Modules/fft_scalar.o
> > > > ../../Modules/fft_types.o ../../Modules/functionals.o
> > > > ../../Modules/input_parameters.o ../../Modules/io_files.o
> > > > ../../Modules/io_global.o ../../Modules/ions_base.o
> > ../../Modules/kind.o
> > > > ../../Modules/metagga.o
> > > > ..................................................\ a2f.o
> > > > allocate_epwq.o bcast_epw_input.o broyden.o close_epw.o
constants_epw.o
> > > > create_mesh.o create_mesh_mp.o createkmap.o dasmio.o
deallocate_epw.o
> > > > deallocate_eliashberg.o distribution.o dmebloch2wan.o
dmewan2bloch.o
> > > > dvanqq2.o dvqpsi_us3.o dvqpsi_us_only3.o dynbloch2wan.o
dynwan2bloch.o
> > > > eliashberg.o
> > > >
> > > > Then I get the following error:
> > > > ifort: error #10236: File not found: 'a2f.o'
> > > > ifort: error #10236: File not found: 'allocate_epwq.o'
> > > > ifort: error #10236: File not found: 'bcast_epw_input.o'
> > > > ifort: error #10236: File not found: 'broyden.o'
> > > > ifort: error #10236: File not found: 'close_epw.o'
> > > > ifort: error #10236: File not found: 'constants_epw.o'
> > > > ifort: error #10236: File not found: 'create_mesh.o'
> > > > ifort: error #10236: File not found: 'create_mesh_mp.o'
> > > > ifort: error #10236: File not found: 'createkmap.o'
> > > > ifort: error #10236: File not found: 'dasmio.o'
> > > > ifort: error #10236: File not found: 'deallocate_epw.o'
> > > > ifort: error #10236: File not found: 'deallocate_eliashberg.o'
> > > > ifort: error #10236: File not found: 'distribution.o'
> > > > ifort: error #10236: File not found: 'dmebloch2wan.o'
> > > > ifort: error #10236: File not found: 'dmewan2bloch.o'
> > > > ifort: error #10236: File not found: 'dvanqq2.o'
> > > > ifort: error #10236: File not found: 'dvqpsi_us3.o'
> > > > ifort: error #10236: File not found: 'dvqpsi_us_only3.o'
> > > > ifort: error #10236: File not found: 'dynbloch2wan.o'
> > > > ifort: error #10236: File not found: 'dynwan2bloch.o'
> > > > ifort: error #10236: File not found: 'eliashberg.o'
> > > > ifort: error #10236: File not found: 'eliashbergcom.
> > > > make[1]: *** [epw] Error 1
> > > > make[1]: Leaving directory
> > > > `/home_cluster/fis718/eliemouj/espresso-4.0.3/EPW-3.0.0/src'
> > > > make: *** [epw] Error 2
> > > >
> > > > I reckon that there is an error in the Makefile. However the
Makefile
> > > > content is just:
> > > > "default: epw
> > > >
> > > > all: epw
> > > >
> > > > epw:
> > > > (cd src ; make )
> > > > (cd bin ; ln -fs ../src/epw.x . )
> > > >
> > > > clean:
> > > > cd src ; rm -f *.o *.mod *.F90 *~
> > > >
> > > > release:
> > > > cd ../ ; cp -r EPW EPW-release; cd EPW-release ; \
> > > > rm -f src/*.o src/*.mod src/*.F90 src/*~ ; \
> > > > rm bin/*.x ; \
> > > > rm -rf examples/*/epw/out/* examples/*/epw/tmp/* \
> > > > examples/*/phonons/out/* examples/*/phonons/tmp/* \
> > > > examples/*/phonons/save/* ; \
> > > > rm -rf .svn */.svn */*/*.svn */*/*/*.svn */*/*/*/*.svn
> > > > cd .. ; tar cfz EPW/EPW-release.tgz EPW-release ; \
> > > > rm -rf EPW-release ; cd EPW "
> > > >
> > > > Please can anyone help me and guide me how to fix this error
step by
> > > > step as I am no FOrtran or Linux professional
> > > >
> > > > Regards
> > > >
> > > > ELIO MOUJAES
> > > > University of Rondonia
> > > > Brazil
> > > >
> > > >
> > > >
> > > >
> > > >
> > > >
> > > > _______________________________________________
> > > > users mailing list
> > > > us...@open-mpi.org
> > > > Subscription: http://www.open-mpi.org/mailman/listinfo.cgi/users
> > > > Link to this post:
> > http://www.open-mpi.org/community/lists/users/2014/09/25253.php
> > > >
> > >
> > > _______________________________________________
> > > users mailing list
> > > us...@open-mpi.org
> > > Subscription: http://www.open-mpi.org/mailman/listinfo.cgi/users
> > > Link to this post:
> > http://www.open-mpi.org/community/lists/users/2014/09/25254.php
> >
> >
> > _______________________________________________
> > users mailing list
> > us...@open-mpi.org
> > Subscription: http://www.open-mpi.org/mailman/listinfo.cgi/users
> > Link to this post:
http://www.open-mpi.org/community/lists/users/2014/09/25255.php
> >
>
> _______________________________________________
> users mailing list
> us...@open-mpi.org
> Subscription: http://www.open-mpi.org/mailman/listinfo.cgi/users
> Link to this post:
http://www.open-mpi.org/community/lists/users/2014/09/25256.php
_______________________________________________
users mailing list
us...@open-mpi.org
Subscription: http://www.open-mpi.org/mailman/listinfo.cgi/users
Link to this post:
http://www.open-mpi.org/community/lists/users/2014/09/25257.php
