<html><head><meta http-equiv="Content-Type" content="text/html charset=iso-8859-1"><base href="x-msg://827/"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Dear Jennifer,<div><br></div><div>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:</div><div><br></div><div><font face="Courier New">[log into the system]</font></div><div><div><font face="Courier New">$ module swap PrgEnv-cray PrgEnv-pgi</font></div></div><div><font face="Courier New">$ svn checkout <a href="svn+ssh://spigafi@qeforge.qe-forge.org/svnroot/q-e/trunk/espresso">svn+ssh://spigafi@qeforge.qe-forge.org/svnroot/q-e/trunk/espresso</a></font></div><div><font face="Courier New">$ cd espresso</font></div><div><font face="Courier New">$ ./configure --enable-openmp --enable-parallel --with-scalapack</font></div><div><font face="Courier New">$ vim make.sys</font></div><div><br></div><div>added manually "<span style="font-family: Arial; ">-D__IOTK_WORKAROUND1</span>" at the end of "DFLAGS" line</div><!--?xml version="1.0" encoding="UTF-8" standalone="no"?-->
<div><br></div><div><font face="Courier New">$ make all</font></div><div><br></div><div>And I do not have any problem at all. All the executable are under "bin/"</div><div><br></div><div><font face="Courier New">$ ls bin</font></div><div><div><font face="Courier New">average.x cp.x ev.x iotk.x neb.x plotproj.x pw2gw.x q2qstar.x wannier_plot.x</font></div><div><font face="Courier New">band_plot.x d3.x fqha.x kpoints.x path_interpolation.x plotrho.x pw2wannier90.x q2r.x wfdd.x</font></div><div><font face="Courier New">bands_FS.x dist.x generate_vdW_kernel_table.x kvecs_FS.x phcg.x pmw.x pwcond.x sumpdos.x</font></div><div><font face="Courier New">bands.x dos.x initial_state.x lambda.x ph.x pp.x pw_export.x turbo_lanczos.x</font></div><div><font face="Courier New">bgw2pw.x dynmat.x iotk ld1.x plan_avg.x projwfc.x pwi2xsf.x turbo_spectrum.x</font></div><div><font face="Courier New">cppp.x epsilon.x iotk_print_kinds.x matdyn.x plotband.x pw2bgw.x pw.x wannier_ham.x</font></div></div><div><br></div><div><br></div><div>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. </div><div><br></div><div>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.</div><div><br></div><div>Happy computing.</div><div><br></div><div>Best Regards,</div><div>Filippo</div><div><br><div><div>On Sep 10, 2012, at 6:26 PM, Jennifer Wohlwend <<a href="mailto:jen7182@hotmail.com">jen7182@hotmail.com</a>> wrote:</div><blockquote type="cite"><div class="hmmessage" style="font-size: 10pt; font-family: Tahoma; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div dir="ltr">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?<br> <br>test -d bin || mkdir bin<br>cd install ; make -f extlibs_makefile libiotk<br>make[1]: Entering directory `/lustre/workspace/rick_dir/QE_dir/QE5.0/espresso-5.0.1/install'<br>if test ! -d ../S3DE; then \<br> (gzip -dc ../archive/iotk-1.2.beta.tar.gz | (cd ../; tar -xvf -)) ; \<br> if test -e Makefile_iotk; then \<br> (cp Makefile_iotk ../S3DE/iotk/src/Makefile); fi; \<br> if test -e iotk_config.h; then \<br> (cp iotk_config.h ../S3DE/iotk/include/iotk_config.h); fi; fi<br>cd ../S3DE/iotk/src; make lib+util;<br>make[2]: Entering directory `/lustre/workspace/rick_dir/QE_dir/QE5.0/espresso-5.0.1/S3DE/iotk/src'<br>make[2]: Nothing to be done for `lib+util'.<br>make[2]: Leaving directory `/lustre/workspace/rick_dir/QE_dir/QE5.0/espresso-5.0.1/S3DE/iotk/src'<br>cd ../bin; ln -fs ../S3DE/iotk/tools/iotk .; \<br> ln -fs ../S3DE/iotk/src/iotk.x .; \<br> ln -fs ../S3DE/iotk/src/iotk_print_kinds.x .; \<br> cd ../; ln -fs S3DE/iotk iotk<br>make[1]: Leaving directory `/lustre/workspace/rick_dir/QE_dir/QE5.0/espresso-5.0.1/install'<br>( cd Modules ; if test "make" = "" ; then make TLDEPS= all ; \<br> else make TLDEPS= all ; fi )<br>make[1]: Entering directory `/lustre/workspace/rick_dir/QE_dir/QE5.0/espresso-5.0.1/Modules'<br>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<br>environment.f90:18.56:<br> USE global_version, ONLY: version_number, svn_revision<br> 1<br>Fatal Error: Can't open module file 'global_version.mod' for reading at (1): No such file or directory<br><br>Thank you,<br>J. Wohlwend<br>Universal Technology Corp.</div></div></blockquote></div><br><div apple-content-edited="true">
<div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-align: -webkit-auto; text-indent: 0px; widows: 2; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-align: -webkit-auto; text-indent: 0px; widows: 2; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-align: -webkit-auto; text-indent: 0px; widows: 2; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; orphans: 2; text-indent: 0px; widows: 2; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">--<br>Mr. Filippo SPIGA, M.Sc., Ph.D. Candidate <br>CADMOS - Chair of Numerical Algorithms and HPC (ANCHP)<br>École Polytechnique Fédérale de Lausanne (EPFL)<br><a href="http://anchp.epfl.ch">http://anchp.epfl.ch</a> ~ <a href="http://filippospiga.me">http://filippospiga.me</a> ~ skype: filippo.spiga<br><br>«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert</div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></span></div></div></div>
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