[Wien] qtl: error reading parallel vectors

2020-10-20 Thread Christian Søndergaard Pedersen
Greetings I am trying to run qtl in order to calculate the partial charge densities for the telnes3 program. The following fails, generating the error in the subject line: run_lapw -p x qtl -p -telnes Meanwhile, the following works: run_lapw -p x lapw2 -p -qtl However,

Re: [Wien] qtl: error reading parallel vectors

2020-10-20 Thread Gavin Abo
I'm not sure about the physics of the following WIEN2k 19.2 parallel calculation (with all patches at [1] applied), but mechanically the "x qtl -p -telnes" seems to have run without error. I typically have SCRATCH in my .bashrc set to "./" but used another location "/home/username/wiendata/sc