Re: Loading and analysis of DCD file (~300 MB)

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Thu Jul 24 2014 - 09:30:12 CDT

Well, this
<http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2012-2013/4078.html>
 has <http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/17290.html>
been <http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/12074.html>
discussed before.
The take home message is that it's always useful to search the mailing list
archives:)

On 24 July 2014 14:02, Stephan Grein <grein_at_informatik.uni-frankfurt.de>
wrote:

> Hey Tillmann,
>
> yeah I thought that (actually i posted just that right before you sent
> this email to the list already :)).
> Maybe you see it soon, this is a pity i made this beginner's error.
>
> Best and thank you many times,
> Stephan
>
> Am 24/07/14 14:00, schrieb tillmann.utesch_at_mailbox.tu-berlin.de:
>
>> Hi Stephan,
>>
>> you create many selections within the loop. Each of them is saved and not
>> overwritten.
>> Deleting them within your loop could help.
>>
>> $sel_name delete
>>
>> Best regards,
>> Tillmann
>>
>>
>> Quoting Stephan Grein <grein_at_informatik.uni-frankfurt.de>:
>>
>> Dear all,
>>>
>>> i have a simple analysis script, but nevertheless it will exit with a
>>> bad_alloc (cannot allocate region) after analysing the first 1000 of 1100
>>> frames.
>>>
>>> I could narrow the problem down - i think it's because i'm generating in
>>> the for loop many representation with atomselect - could this be true?
>>> It's a bit time consuming to create the representations out of the loop.
>>>
>>> Find attached the script please.
>>> Any hints would be appreciated.
>>>
>>> Best regards,
>>> Stephan
>>>
>>
>>
>>
>

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