<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>><br>><br>> On 12/20/06, *Mark Abraham* <<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a><br>> <mailto:<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au
</a>>> wrote:<br>><br>> 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?<br>><br>><br>> What I want is to run gromacs on a signle machine with multiple
<br>> processors.<br>><br>> In "A.5 Running GROMACS in parallel"<br>> "If you have a single machine with multiple processors you don't have to<br>> 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<br>> mdrun also wants to<br>> know the number of processes you have to type it twice."<br>
<br>So what does it say? Should you be using mdrun_mpi? How about using a<br>mpirun command anyway...<br><br>If you want meaningful feedback you need to describe your setup<br>thoroughly, say what you've tried and why that didn't work and why the
<br>error messages didn't help you. Otherwise, you need to pay someone for a<br>support contract :-) I'll help solve problems, but I won't help if you<br>don't give the impression you're helping yourself too!
<br><br>Mark</blockquote><div><br>I do not understand why you are so upset. Are you the author of the user manual :-) Any way, let's go back for the issue, not person.<br><br>The user manual said that <span style="font-weight: bold;">
<span style="font-weight: bold;">"</span>you don't have to use the mpirun command" </span>if you want to run gromacs on a single machine with multiple processors. How should I understand this? By the way, the manual (
v.3.3) and the reference does not have information about "mdrun_mpi". Thanks.<br><br>Ocean<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;">
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