[Wannier] memory usage increase with iteration of wannierising

[Haowei Peng]

FYI.

ifort xe update 5 fix this problem


On Fri, Jun 21, 2013 at 4:53 PM, Haowei Peng <haoweipeng at gmail.com> wrote:

> I test this on another machine (the server we are using), which is free of
> this problem.
>
> haowei
>
>
> On Fri, Jun 21, 2013 at 4:29 PM, Giovanni Pizzi <giovanni.pizzi at epfl.ch>wrote:
>
>>  And I guess that both have the same behavior, i.e. seem to give a memory
>> leak in your case?
>>
>>  Giovanni
>>
>>
>>  --
>> 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 22 Jun 2013, at 00:23, Haowei Peng wrote:
>>
>>  Hi Giovanni,
>>
>> I tried both versions.
>>
>>  haowei
>>
>>
>> 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
>>>
>>>  --
>>> 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:
>>>
>>>      Hello,
>>>
>>>  I found that the memory usage increases with the iteration of
>>> wannierising.
>>>  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
>>> http://www.democritos.it/mailman/listinfo/wannier
>>>
>>>
>>>
>>
>>
>> --
>> Haowei Peng
>>
>> National Renewable Energy Laboratory
>> 15013 Denver West Pkwy
>> Golden, CO 80401
>>  _______________________________________________
>> Wannier mailing list
>> Wannier at quantum-espresso.org
>> http://www.democritos.it/mailman/listinfo/wannier
>>
>>
>>
>> _______________________________________________
>> Wannier mailing list
>> Wannier at quantum-espresso.org
>> http://www.democritos.it/mailman/listinfo/wannier
>>
>>
>
>
> --
> Haowei Peng
>
> National Renewable Energy Laboratory
> 15013 Denver West Pkwy
> Golden, CO 80401
>



-- 
Haowei Peng

National Renewable Energy Laboratory
15013 Denver West Pkwy
Golden, CO 80401
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