VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Aug 19 2011 - 18:14:30 CDT

sebastian,

2011/8/19 Sebastián Gutiérrez <segumal_at_gmail.com>:
> Axel,
>
> strangely enough, i don't seem to have a 'atomselect' issue, since other
> scripts run ok without consuming up my RAM.

indeed. there is only one atomselect and that is outside the nested loop.
so this is is not a problem.

> I thought that maybe unsetting some variables might help freeing some RAM,
> but it's not working...

> Could you (or someone else) help me by looking at my script and telling me
> what might be causing the leakage?

i don't see anything obvious, so it is possible, that you are
triggering a real memory leak in VMD. are you using the
current version (1.9)? if not, please update.

secondly, have you considered using "measure dihed" instead of
"ab"using the label command? that may also give us an indication
of whether the label command has a leak.

if you can make some example trajectory data available to me
(off-list), then i can have a closer look.

thanks,
    axel.

> Thanks,
>
> Sebastián
>
>
>
> 2011/8/18 Axel Kohlmeyer <akohlmey_at_gmail.com>
>>
>> 2011/8/18 Sebastián Gutiérrez <segumal_at_gmail.com>:
>> > Dear All,
>> >
>> > i'm using the label tcl command in a script to run some extensive
>> > analysis.
>> > The problem i'm having is that every time i assign a certain label, vmd
>> > outputs some info to the console such as:
>> > "Info) Added new label..."
>> > Is there a way to turn this off? Since it's eating up my RAM fast...
>>
>> how can this be "eating up" your RAM?
>> it is simply a text message.
>> how can this produce a memory leak.
>>
>> traditionally, most memory leaks in VMD analysis scripts
>> are due to oversights in the use of the atomselect command.
>>
>> cheers,
>>     axel.
>>
>> >
>> >
>> > Thanks in advance!
>> >
>> > Sebastián G.
>> >
>>
>>
>>
>> --
>> Dr. Axel Kohlmeyer
>> akohlmey_at_gmail.com  http://goo.gl/1wk0
>>
>> Institute for Computational Molecular Science
>> Temple University, Philadelphia PA, USA.
>
> 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.