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Hi,<br><br>Gromacs 4.5 compiles with a built-in thread mpi library by default.<br>So you don't need --enable-mpi.<br>With built in thread-mpi mdrun has an option -nt with by default uses all threads.<br><br>Berk<br><br>> From: lidawei@gmail.com<br>> Date: Sat, 11 Sep 2010 05:19:57 -0400<br>> Subject: Re: [gmx-users] About parallel installation of GMX-4.5.1<br>> To: gmx-users@gromacs.org<br>> <br>> I think you are right.<br>> <br>> 2010/9/11 wuxiao <xiaowu759@hotmail.com>:<br>> > Dear GMXers,<br>> > I have a quad-core computer at hand, on which I would like to install a<br>> > parallel implementation of GMX-4.5.1. The homepage<br>> > (http://www.gromacs.org/About_Gromacs/Release_Notes/Version_4.5) refers to<br>> > "running on a multi-core node now uses thread-based parallelization to<br>> > automatically spawn the optimum number of threads in the default build". I<br>> > have a puzzle about it, that is, whether it means that I do not have to add<br>> > "--enable-mpi" in compling the source for parallel calculations. Please give<br>> > me some hints, thanks a lot.<br>> ><br>> > Chaofu Wu, Dr.<br>> ><br>> > --<br>> > gmx-users mailing list gmx-users@gromacs.org<br>> > http://lists.gromacs.org/mailman/listinfo/gmx-users<br>> > Please search the archive at<br>> > http://www.gromacs.org/Support/Mailing_Lists/Search before posting!<br>> > Please don't post (un)subscribe requests to the list. Use the<br>> > www interface or send it to gmx-users-request@gromacs.org.<br>> > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists<br>> ><br>> -- <br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://lists.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists<br> </body>
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