Thanks. I don't know what kind of compiler checking is doing in the configure step. Maybe a check can be added to prevent users using old compilers in this case. Ye
=================== Ye Luo, Ph.D. Leadership Computing Facility Argonne National Laboratory 2016-08-30 3:56 GMT-05:00 nicola varini <nicola.var...@epfl.ch>: > Hi Ye, according to this page: > https://gcc.gnu.org/bugzilla/show_bug.cgi?id=53945 > it seems that even the 4.8.something is not happy with that kind of syntax. > According to the GNU guys the 4.9 should fix the issue. > I'll let you know how this progress. > > > Nicola > > On 29.08.2016 16:01, Ye Luo wrote: > > Hi Filippo, > > I just noticed that src/ELPA is added in my building command line even > though it is not included in the make.inc and I'm not using ELPA. The > compiler complains about the non-existing path. > > I have tried the experimental HDF5 support in QE 6.0. It is great to have > hdf5 support. > 1, Some check could be added in the configure. Due to the mod file > incompatible between compilers. I noticed most machines have installed hdf5 > library build with GNU. When I build QE Intel compilers, the compiler > complains. > 2, I tried to build QE with GNU 4.8.4. I need to uncomment "USE, intrinsic > :: ISO_C_binding" first but then the compiler still complains about C_LOC. > Unsolved. > 3, I also tried it with GNU 5.4 and hdf5 1.8.16. The two mpio routines > can't be found in the library at the linking. Adding "USE h5fdmpio" in > hdf_qe.90 solves the issue. Maybe there is an interface change in more > recent hdf5. > I finally got the hdf5 working well in my test runs. Viva! > I have CCd Nicola who develops the hdf5 support, he can probably > investigate the issues and also answer the following question. > I read the content of the h5 files. The wave function part, it has been > well organized in kpoints and bands. however in the charge density h5, its > gvectors are still in a .dat file and the content of the h5 seems not human > readable. Do you have plans to improve them? > > Thanks to every one. It's great to have a major release of QE. > > Best regards, > Ye > > =================== > Ye Luo, Ph.D. > Leadership Computing Facility > Argonne National Laboratory > > 2016-08-28 16:51 GMT-05:00 Filippo SPIGA <filippo.spiga@quantum- > espresso.org>: > >> Dear all, >> >> the Quantum ESPRESSO Development Team is pleased to release a beta >> version of Quantum ESPRESSO v6.0. >> >> We decided to disclose a beta release to collect from our user community >> as many feedback as possible and capture as many bugs as possible in >> advance. We will do our best to fix on time all isssues before the >> production release. The v6.0 is planned by end of September. The "6.beta" >> archive can be downloaded from QE-FORGE: >> >> http://qeforge.qe-forge.org/gf/project/q-e/frs/?action=FrsRe >> leaseView&release_id=219 >> >> >> An important note: this is *not* a productionrelease so there may be >> issues and *not* all third-party packages are supported and available at >> this stage. After the beta period this archive will be removed. >> >> We appreciate and value your feedback, PLEASE download and try it. We >> look forward to hearing from you. >> >> Happy Computing >> >> -- >> Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ >> http://www.quantum-espresso.org >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > -- > Nicola Varini, PhD > > Scientific IT and Application Support (SCITAS) > Theory and simulation of materials (THEOS) > CE 0 813 (Bâtiment CE) > Station 1 > CH-1015 Lausannehttp://scitas.epfl.ch > > Nicola Varini > >
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