Search found 2 matches

by Tom Poole
Wed Feb 06, 2013 1:49 am
Forum: Link to other codes
Topic: Seg fault using UPF pseudopotentials
Replies: 2
Views: 3177

Re: Seg fault using UPF pseudopotentials

Hi Alain,

That has fixed things. For the benefit of others experiencing this problem (who also hadn't noticed the well-named option), the required addition is --enable-zdot-bugfix="yes" (no c).

Thank you for your help.

Tom
by Tom Poole
Tue Feb 05, 2013 8:11 pm
Forum: Link to other codes
Topic: Seg fault using UPF pseudopotentials
Replies: 2
Views: 3177

Seg fault using UPF pseudopotentials

Hello, I've recently attempted to reproduce some Quantum Espresso calculations using Abinit, but have had little success performing calculations using the UPF format of pseudopotential. Versions 7.0.5 and 6.12.3 both segfault inside the SCF loop if a UPF pseudopotential is used. This is easily repro...