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
--
Dr. Loris Bennett (Mr.)
ZEDAT, Freie Universität Berlin Email [email protected]
