VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Jan 17 2012 - 11:05:20 CST

On Tue, Jan 17, 2012 at 11:04 AM, Víctor <victor.gil.sepulveda_at_gmail.com> wrote:
> Dear all,
>
> I've been trying to create a script using threads in order to fully use a
> multicore computer. The fact is that the program fails right in the first
> line :
>
> package require Thread
>
> 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?

you have to compile a thread-enabled Tcl library and then compile your own
VMD and then you'll realize that VMD scripting is not thread safe and thus
all your effort is not leading anyway. however, several compute intense
tasks inside of VMD have been multi-threaded already (on the c++ back
end). have you don't some benchmarking/profiling to determine where
most of your time is actually spent and how threading will help?

cheers,
    axel.

>
> Thanks in advance,
>
> --
>
> Víctor Gil Sepúlveda
> E. Informatica - FIB - UPC 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science and Technology
Temple University, Philadelphia PA, USA.