It should work, I had no problems with it. But let's verify some things. Which version of EasyBuild are you using?
On 4/1/19 4:31 PM, Loris Bennett wrote: > Hi, > > I have build QuantumESPRESSO using > > QuantumESPRESSO-6.3-foss-2018b.eb > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > task # 0 > from write_rhog : error # 1 > error opening file > /scratch/loris/espresso/tmp-Ir3/Ir.save/charge-density.dat > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > According to this reply to a posting one of my users wrote > > https://www.mail-archive.com/[email protected]/msg35507.html > > the program is actually complaining about > > /scratch/loris/espresso/tmp-Ir3/Ir.save/charge-density.hdf5 > > which does however exist: > > $ ll /scratch/loris/espresso/tmp-Ir3/Ir.save/charge-density.hdf5 > -rw-r--r-- 1 loris sc 0 Apr 1 16:13 > /scratch/loris/espresso/tmp-Ir3/Ir.save/charge-density.hdf5 > > The suggestion from the mailing list is that there is something wrong > with the HDF5 library being used. > > Can anyone confirm that the Easyconfig is OK or should hdf5 be included > in the buildopts? > > Cheers, > > Loris > -- Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden Internet: [email protected] Phone: +46 90 7866134 Fax: +46 90-580 14 Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se
