Re: [Pw_forum] Availability beta version of Quantum ESPRESSO v6.0

On Aug 30, 2016, at 10:22 PM, Ye Luo wrote: > Maybe a check can be added to prevent users using old compilers in this case. This can be done. Put on the list. -- Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ http://www.quantum-espresso.org

Re: [Pw_forum] Availability beta version of Quantum ESPRESSO v6.0

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

Re: [Pw_forum] Availability beta version of Quantum ESPRESSO v6.0

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:

Re: [Pw_forum] Availability beta version of Quantum ESPRESSO v6.0

On Mon, Aug 29, 2016 at 4:01 PM, Ye Luo wrote: > 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. > as long as it complains but

Re: [Pw_forum] Availability beta version of Quantum ESPRESSO v6.0

Hi Nicola, I got similar files as you have. For what I understand, the gk.hdf5 correspond to evc.h5 for the WF. gvectors.dat serves charge-density.hdf5. The two g spaces are different. I mean if gvectors.dat can be written similar to gk.hdf5 as a part of charge-density.hdf5 and also make

Re: [Pw_forum] Availability beta version of Quantum ESPRESSO v6.0

Dear Ye, thanks to contribute with your feedback. 1. Yes it could be done. Maybe Filippo has in mind a clear way to do this. Locally we started to use spack (https://github.com/LLNL/spack) to install software on the cluster. In theory, spack should be able to solve the problem of dependencies

Re: [Pw_forum] Availability beta version of Quantum ESPRESSO v6.0

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

[Pw_forum] Availability beta version of Quantum ESPRESSO v6.0

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