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

From: tillmann.utesch_at_mailbox.tu-berlin.de
Date: Thu Jul 24 2014 - 07:00:09 CDT

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

-- 
Dr. Tillmann Utesch
Institut für Chemie, Max-Volmer-Laboratorium
TU Berlin, PC 14
Straße des 17. Juni 135
D-10623 Berlin
Tel. +49-(0)30-314-26389

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