<br><br><div><span class="gmail_quote">On 12/20/06, <b class="gmail_sendername">Mark Abraham</b> <<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Seaclear Theory wrote:<br>> Hi! All,<br>><br>> I have a linux server with 4 CPUs. How can I run gromacs on all CPUs?<br>> The gromacs manual has very limit information. And it does not works.<br><br>So which part of the manual section entitled "Running GROMACS in
<br>parallel" doesn't work?</blockquote><div><br>What I want is to run gromacs on a signle machine with multiple processors. <br></div><br><div>In "A.5 Running GROMACS in parallel"<br>"If you have a
<span style="font-weight: bold; text-decoration: underline;">single machine with multiple processors</span> you don't have to use the mpirun command,<br>but you can do with an extra option to mdrun:<br>% mdrun -np 8 -s topol -v -N 8
<br>In this example MPI reads the first option from the command line. Since mdrun also wants to<br>know the number of processes you have to type it twice."<br> <br><br></div><br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
> I installed Lam/mpi and compile gromacs with mpi. Thanks lot!<br><br>Have you read the man pages for grompp and mdrun closely?<br><br>Mark<br>_______________________________________________<br>gmx-users mailing list
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