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

From: Stephan Grein (grein_at_informatik.uni-frankfurt.de)
Date: Thu Jul 24 2014 - 07:02:53 CDT

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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