[Molvis-list] hardware upgrades to increase rasmol performance on very large systems.

[Dr. Christoph Gille]

I do not think that increasing
RAM would solve the problem.

If the RAM would be a problem the entire computer would be
frozen.

Since the computer is still responsive it has sufficient memory.

Nevertheless,
can you monitor memory consumption i.e.
calling ps aux | fgrep rasmol ... after each image
or using top or gps or whatever monitor.

As a solution, can you close the rasmol instance in your script
and start a new one
after 400 files ?

If the number of written files is about the
same each time
independently of the size of the protein
it could also be that file pointers are not closed.

You could have a look at the
source code and check whether
the file pointers are closed.



> Hello all;
>
> My research involves 4 million atom MD simulations and we've decided to use
> rasmol for visualization. From my experiences, I have two questions and am
> hoping that someone here may be able to help.
>
> 1. Currently I'm using version 2.7.1 because it doesn't have the coloring
> problems when loading images one after another. Unfortunately, after about
> 500 images rasmol gives an error and is unable to load any new images saying
> that the file is not found, or something to that effect. Does anyone have
> experience with handling this?
>
> 2. We are planning on some upgrades, and are kind of curious as to which
> components will help the most with increasing the speed in which these files
> are loaded: memory or video memory, or perhaps processor. We mostly suspect
> that adding more memory would be the best choice, but I'd like to hear other
> opinions.
>
> Thanks!
> --
> Keith McLaughlin
> University of South Florida
> Physics Dept. PHY225
> 4202 E. Fowler Ave
> Tampa, FL 33620
>
> --
> Keith McLaughlin
> University of South Florida
> Physics Dept. PHY225
> 4202 E. Fowler Ave
> Tampa, FL 33620
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