[lammps-users] lammps-users Digest, Vol 12, Issue 24

I intend to make install lammps on the parallerl computer. Now i have built fftw, mpich and lammps on a single computer, and created a lmp_g++ file successfully. But I have a question now. what should i do next to run it on a cluster? What serves is necessary to lammps? rsh, nfs is necessary??or orthers?
expecting your answer. Any advise will be appreciated.

在2007-05-22,[email protected] 写道:

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Today's Topics:

   1. Re: Question about Pizza.py commands/mailing list (Paul Crozier)

----------------------------------------------------------------------

Message: 1
Date: Mon, 21 May 2007 09:07:27 -0600
From: "Paul Crozier" <[email protected]>
Subject: Re: [lammps-users] Question about Pizza.py commands/mailing
	list
To: "David Farrell" <[email protected]>
Cc: LAMMPS user list <[email protected]>
Message-ID:
	<[email protected]>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed

Dave,

We had quite a bit of spam last year to both the LAMMPS and Pizza.py
mailing lists, but we've made it so that non-members can't post unless
hand-approved, so looks like there has been zero spam so far in 2007.
So you might want to go ahead and sign up ---the e-mail traffic to
that list is low.

I also use Pizza.py to convert dump files to Ensight format. But
unfortunately, I don't know of a good way to randomly-access a given
snapshot within a dump file using Pizza.py.

Paul

>
> Hi all,
>
> I have a question about some of the tools in the Pizza.py package, but am
> hesitant to sign up for the mailing list because it appears to have been
> over-run by spambots. So, I will post it here and hope someone can answer
> it:
>
> I am working with some fairly large dump files, and want to convert the some
> parts of the dump file to ensight format (i.e. particular snapshots). As far
> as I can tell, the docs say basically to read each step in sequence with
> next(), delete it if not needed, and if a desired step, process it. I was
> hoping there may be a more streamlined way to do this (such as a method to
> read a particular timestep without needing to read the others first), as
> this will be rather inefficient if I wish to say visualize a particular step
> which is not early in the dump file.
>
> My hack around this is to do some fancy grepping, and pre-process the dump
> file, but I was hoping there is a way to do this within Pizza - is that
> possible?
>
> Thanks,
>
> Dave
>
>
>
>
>
> David E. Farrell
>
> Graduate Student
>
> Mechanical Engineering
>
> Northwestern University
>
> email: [email protected]
>
>
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End of lammps-users Digest, Vol 12, Issue 24
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礼!

herofather

  dear David��

dear ???,

when posting to a mailing list, please always use a meaningful
subject line, so that people know what you are asking about.

particularly, don't reply to a digest quoting it in full(!),
and not referring to any of the mails in it. it even asks
you to do so at the beginning of it.

both will make it much less likely that people will take you
seriously and give you a meaningful reply. that being said,
lets have a look at your mail...

����hello! I intend to make install lammps on the parallerl
computer. Now i have built fftw, mpich and lammps on a single
computer, and created a lmp_g++ file successfully. But I have a
question now. what should i do next to run it on a cluster? What
serves is necessary to lammps? rsh, nfs is necessary??or orthers?
expecting your answer. Any advise will be appreciated.

ok. this actually is not a question about LAMMPS, but about MPI.
to comile and run LAMMPS in parallel, you need an MPI library.
there are multiple of them, several are free software (OpenMPI,
MPICH, LAM/MPI, ...).
please read the installation instructions of the MPI package
that you choose and try the test programs that ship with it.
once you get that working it should be straightforward to
compile and run a parallel LAMMPS executable.

cheers,
  axel.

Please carefully review the documentation about making LAMMPS:

http://lammps.sandia.gov/doc/Section_start.html#2_2

And consult your computer administration people.

Paul