Dear Jennifer,
all CRAY XE6 machines have PGI compiler. I do suggest to use that compiler
instead of the GNU GFORTRAN. On a CRAY machine I just did these steps to
compile and run:
[log into the system]
$ module swap PrgEnv-cray PrgEnv-pgi
$ svn checkout svn+ssh://spigafi at
qeforge.qe-forge.org/svnroot/q-e/trunk/espresso
$ cd espresso
$ ./configure --enable-openmp --enable-parallel --with-scalapack
$ vim make.sys
added manually "-D__IOTK_WORKAROUND1" at the end of "DFLAGS" line
$ make all
And I do not have any problem at all. All the executable are under "bin/"
$ ls bin
average.x cp.x ev.x iotk.x neb.x
plotproj.x pw2gw.x q2qstar.x wannier_plot.x
band_plot.x d3.x fqha.x kpoints.x
path_interpolation.x plotrho.x pw2wannier90.x q2r.x wfdd.x
bands_FS.x dist.x generate_vdW_kernel_table.x kvecs_FS.x phcg.x
pmw.x pwcond.x sumpdos.x
bands.x dos.x initial_state.x lambda.x ph.x
pp.x pw_export.x turbo_lanczos.x
bgw2pw.x dynmat.x iotk ld1.x plan_avg.x
projwfc.x pwi2xsf.x turbo_spectrum.x
cppp.x epsilon.x iotk_print_kinds.x matdyn.x plotband.x
pw2bgw.x pw.x wannier_ham.x
Now, despite what people can imagine, every CRAY machine deployed can have
different environment. For example on the machine I usually use for tests since
it is a developer machine (half XE6, half XE6) I do have to unload some modules
to make QE running properly. On another CRAY, in a HPC centre here in
Switzerland, there is also Intel compiler as option and the system is slightly
different compared to the other. So my recipe should work, 99% of the cases. I
strongly suggest you to use PGI, also for a performance point of view. If you
only have the GNU compiler (weird situation, CRAY usually sells the full
package) I should give a more detailed look to your issue.
I can also help to figure out your environment but I need the output of the
command "module list" just after you logged in into the system. I can see that
you work for a private company, if you feel more comfortable to share specific
details of your system in private is perfectly understandable.
Happy computing.
Best Regards,
Filippo
On Sep 10, 2012, at 6:26 PM, Jennifer Wohlwend <jen7182 at hotmail.com> wrote:
> I'm trying to instal on a Cray XE6 and when I use 'make all' I get this error
> concerning 'global_version.mod'. I've tried to find this on the website/forum
> etc but I haven't seen it mentioned, could anyone tell me what this mod is
> and where it's located?
>
> test -d bin || mkdir bin
> cd install ; make -f extlibs_makefile libiotk
> make[1]: Entering directory
> `/lustre/workspace/rick_dir/QE_dir/QE5.0/espresso-5.0.1/install'
> if test ! -d ../S3DE; then \
> (gzip -dc ../archive/iotk-1.2.beta.tar.gz | (cd ../; tar -xvf -)) ; \
> if test -e Makefile_iotk; then \
> (cp Makefile_iotk ../S3DE/iotk/src/Makefile); fi; \
> if test -e iotk_config.h; then \
> (cp iotk_config.h ../S3DE/iotk/include/iotk_config.h); fi; fi
> cd ../S3DE/iotk/src; make lib+util;
> make[2]: Entering directory
> `/lustre/workspace/rick_dir/QE_dir/QE5.0/espresso-5.0.1/S3DE/iotk/src'
> make[2]: Nothing to be done for `lib+util'.
> make[2]: Leaving directory
> `/lustre/workspace/rick_dir/QE_dir/QE5.0/espresso-5.0.1/S3DE/iotk/src'
> cd ../bin; ln -fs ../S3DE/iotk/tools/iotk .; \
> ln -fs ../S3DE/iotk/src/iotk.x .; \
> ln -fs ../S3DE/iotk/src/iotk_print_kinds.x .; \
> cd ../; ln -fs S3DE/iotk iotk
> make[1]: Leaving directory
> `/lustre/workspace/rick_dir/QE_dir/QE5.0/espresso-5.0.1/install'
> ( cd Modules ; if test "make" = "" ; then make TLDEPS= all ; \
> else make TLDEPS= all ; fi )
> make[1]: Entering directory
> `/lustre/workspace/rick_dir/QE_dir/QE5.0/espresso-5.0.1/Modules'
> ftn -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW3 -D__MPI
> -D__PARA -I../include -I../iotk/src -I. -c environment.f90
> environment.f90:18.56:
> USE global_version, ONLY: version_number, svn_revision
> 1
> Fatal Error: Can't open module file 'global_version.mod' for reading at (1):
> No such file or directory
>
> Thank you,
> J. Wohlwend
> Universal Technology Corp.
--
Mr. Filippo SPIGA, M.Sc., Ph.D. Candidate
CADMOS - Chair of Numerical Algorithms and HPC (ANCHP)
?cole Polytechnique F?d?rale de Lausanne (EPFL)
http://anchp.epfl.ch ~ http://filippospiga.me ~ skype: filippo.spiga
?Nobody will drive us out of Cantor's paradise.? ~ David Hilbert
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