[Wannier] memory usage increase with iteration of wannierising
haoweipeng at gmail.com
Sat Jun 22 00:23:14 CEST 2013
I tried both versions.
On Fri, Jun 21, 2013 at 4:20 PM, Giovanni Pizzi <giovanni.pizzi at epfl.ch>wrote:
> Hi Haowei,
> just a quick question: are you using v. 1.2 or the version I sent you?
> Giovanni Pizzi
> Post-doctoral Research Scientist
> EPFL STI IMX THEOS
> MXC 340 (Bâtiment MXC)
> Station 12
> CH-1015 Lausanne (Switzerland)
> Phone: +41 21 69 31124
> On 21 Jun 2013, at 22:59, Haowei Peng wrote:
> I found that the memory usage increases with the iteration of
> I already tried the keywork "optimisation = 0", which does not help.
> If the num_iter is quite large and convergence is not good, this will
> lead to crash in the end.
> Can this be avoided?
> Thanks a lot,
> Haowei Peng
> National Renewable Energy Laboratory
> 15013 Denver West Pkwy
> Golden, CO 80401
> Wannier mailing list
> Wannier at quantum-espresso.org
National Renewable Energy Laboratory
15013 Denver West Pkwy
Golden, CO 80401
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the Wannier