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 <p...@uab.edu> > An: Lara Bunte <lara.bu...@yahoo.de>; Discussion list for GROMACS users > <gmx-users@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 <p...@uab.edu> > > An: Discussion list for GROMACS users <gmx-users@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 > > > > > > -- > > > gmx-users mailing list gmx-users@gromacs.org > > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > > * Please search the archive at > > > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > > > * Please don't post (un)subscribe requests to the list. Use the > > > www interface or send it to gmx-users-requ...@gromacs.org. > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > -- > > ================================================================== > > Peter C. Lai | University of Alabama-Birmingham > > Programmer/Analyst | KAUL 752A > > Genetics, Div. of Research | 705 South 20th Street > > p...@uab.edu | Birmingham AL 35294-4461 > > (205) 690-0808 | > > ================================================================== > > > > -- > > gmx-users mailing list gmx-users@gromacs.org > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > * Please search the archive at > > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > > * Please don't post (un)subscribe requests to the list. Use the > > www interface or send it to gmx-users-requ...@gromacs.org. > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > -- > > gmx-users mailing list gmx-users@gromacs.org > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > * Please search the archive at > > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > > * Please don't post (un)subscribe requests to the list. Use the > > www interface or send it to gmx-users-requ...@gromacs.org. > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > -- > ================================================================== > Peter C. Lai | University of Alabama-Birmingham > Programmer/Analyst | KAUL 752A > Genetics, Div. of Research | 705 South 20th Street > p...@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 p...@uab.edu | Birmingham AL 35294-4461 (205) 690-0808 | ================================================================== -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
