Åke Sandgren <ake.sandg...@hpc2n.umu.se> writes: > It should work, I had no problems with it. > > But let's verify some things. > Which version of EasyBuild are you using?
3.8.1 > 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/users@lists.quantum-espresso.org/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 >> -- Dr. Loris Bennett (Mr.) ZEDAT, Freie Universität Berlin Email loris.benn...@fu-berlin.de
