Hi Ray, Elio, list Hmmm ... somehow I didn't need to do "make all" in the QE top directory before doing "make" in the EPW top directory. Please, see the email that I just sent to the list. I stopped in the QE configure step as per the recipe in the EPW site. I presume the latter "make" takes care of the former, or not?
Besides epw.x in the EPW bin directory, I ended up with several executables in the QE bin directory as well: dynmat.x iotk iotk_print_kinds.x iotk.x matdyn.x ph.x pw.x q2r.x I would guess the relative location of the top QE and top EPW directory (which per the recipe is right below the top QE) plays a role. Anyway, phonons are not my playground, just trying to help two-cent-wise, although this is not really an MPI or OpenMPI issue, more or a Makefile/configure issue specific to QE and EPW. Thanks, Gus Correa On 09/03/2014 07:39 PM, Ray Sheppard wrote:
Hi Elio and everyone, I went to the EPW website and their instructions seem lacking with respect to The Quantum-Expresso 4.0.3 requirement. The EPW folks want to leverage Quantum Expresso intermediate object files. By knowing how it builds and telling you where to put their package, they can then navigate relative to their make to link the files they want. Unfortunately, their instructions end with ./configure. I think if you look, you will see the Expresso object files were never built. Instead, you should look up the complete installation instructions from the Quantum Expresso folks. It might be as simple as "make all" but I can guarantee there is more to be done. Once you check that it actually works, you can finish with the EPW specific instructions. Of course, these are just my two cents :) Ray On 9/3/2014 7:10 PM, Jonathan Dursi (SN) wrote:Original Message *From: *Elio Physics *Sent: *Wednesday, September 3, 2014 6:48 PM *To: *Open MPI Users *Reply To: *Open MPI Users *Subject: *Re: [OMPI users] compilation problem with ifort 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/2014/09/25258.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/2014/09/25259.php
