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On 3/03/2012 7:34 AM, bo.shuang wrote:
<blockquote
cite="mid:CA+4uorOJA3Khdc17CywF=-76DV2=YMArYE-PNtd74Sq-OeWmmw@mail.gmail.com"
type="cite">Thank you for help! Is that possible to run REMD on a
PC with only one processor?<br>
</blockquote>
<br>
No. See <a href="http://www.gromacs.org/Documentation/How-tos/REMD">http://www.gromacs.org/Documentation/How-tos/REMD</a><br>
<br>
Mark<br>
<br>
<blockquote
cite="mid:CA+4uorOJA3Khdc17CywF=-76DV2=YMArYE-PNtd74Sq-OeWmmw@mail.gmail.com"
type="cite"><br>
Bo<br>
<br>
bo.shuang wrote:<br>
> Hi, Mark,<br>
><br>
> Thank you for help. It works. But now I have new fatal error:<br>
><br>
> Fatal error:<br>
> The number of nodes (1) is not a multiple of the number of
simulations (2)<br>
><br>
> MPI_ABORT was invoked on rank 0 in communicator
MPI_COMM_WORLD<br>
> with errorcode -1.<br>
><br>
> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI
processes.<br>
> You may or may not see output from other processes, depending
on<br>
> exactly when Open MPI kills them.<br>
><br>
><br>
> What does it mean about nodes? Thank you!<br>
><br>
<br>
Running multiple simulations requires multiple processors. For 2
simulations,<br>
you need at least 2 processors (one for each simulation). More
can be used, but<br>
it must be a multiple of the number of simulations, as the error
message indicates.<br>
<br>
-Justin<br>
<br>
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