[gmx-users] About mdrun -nt number

[Lara Bunte]

If I have 24 processors in the machine, I could use mdrun -nt 24 for a high performance?

Greetings
Lara





----- Ursprüngliche Message -----
Von: Peter C. Lai <pcl at uab.edu>
An: Lara Bunte <lara.bunte at yahoo.de>; Discussion list for GROMACS users <gmx-users at gromacs.org>
CC: 
Gesendet: 17:58 Montag, 24.September 2012
Betreff: Re: [gmx-users] About mdrun -nt number

A thread is like a process. (Except not all threads have to be processes,
since that is an OS feature).

On 2012-09-24 04:55:20PM +0100, Lara Bunte wrote:
> Sadly I don't know what a thread is. :( Sorry but I don't understand.
> 
> Greetings
> Lara
> 
> 
> 
> 
> 
> ----- Ursprüngliche Message -----
> Von: Peter C. Lai <pcl at uab.edu>
> An: Discussion list for GROMACS users <gmx-users at gromacs.org>
> CC: 
> Gesendet: 17:43 Montag, 24.September 2012
> Betreff: Re: [gmx-users] About mdrun -nt number
> 
> # of mdrun threads
> 
> -nt N is used to basically tell mdrun how many threads to spawn on the 
> local host. We refer to threads since on some architectures, a single core
> can handle multiple threads. (like 2 threads per core with hyperthreading).
> 
> On 2012-09-24 04:33:19PM +0100, Lara Bunte wrote:
> > Hi
> > 
> > In the man page of mdrun is written for the option -nt int: "Number of threads to start (0 is guess)"
> > 
> > What do this mean? What is a thread in this context?
> > 
> > Thanks
> > Greetings
> > Lara
> > 
> > -- 
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> ==================================================================
> Peter C. Lai            | University of Alabama-Birmingham
> Programmer/Analyst        | KAUL 752A
> Genetics, Div. of Research    | 705 South 20th Street
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-- 
==================================================================
Peter C. Lai            | University of Alabama-Birmingham
Programmer/Analyst        | KAUL 752A
Genetics, Div. of Research    | 705 South 20th Street
pcl at uab.edu            | Birmingham AL 35294-4461
(205) 690-0808            |
==================================================================