VMD-L Mailing List

From: Vctor (victor.gil.sepulveda_at_gmail.com)
Date: Tue Jan 17 2012 - 16:03:38 CST

I want to paralellize a rmsd matrix script... so it's a double loop where
the inner loop works with its own data: an embarrasingly parallel problem
(and I must add that it would be very difficult to run into a race
condition in something like this :) )

Thanks for your tips anyway!

2012/1/17 Ajasja Ljubetič <ajasja.ljubetic_at_gmail.com>

> As the script I'm coding works with my tcl interpreter (tclsh), What can I
>> do to be able to use the thread extension within VMD's tcl interpreter?
>>
>
> Exactly what part would you like to parallelize? You could either invoke
> the thread-enabled tclsh from vmd tcl (using exec or some such - but
> passing data may be problematic) or run multiple instances of VMD (most
> probably in text mode) from a bash or tcl script.
>
> Best regards,
> Ajasja
> 

-- 
Víctor Gil Sepúlveda
E. Informatica - FIB - UPC