[gmx-users] About mdrun -nt number

[Peter C. Lai]

yes. but by default mdrun should allocate all 24. (that's what -nt 0 does,
allocate the maximum).

On 2012-09-24 05:01:11PM +0100, Lara Bunte wrote:
> 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
> > pcl at uab.edu            | Birmingham AL 35294-4461
> > (205) 690-0808            |
> > ==================================================================
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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            |
> ==================================================================

-- 
==================================================================
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			|
==================================================================