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Re: [lammps-users] LAMMPS COUPLE in SERIAL
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Re: [lammps-users] LAMMPS COUPLE in SERIAL


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Wed, 02 May 2018 17:07:04 +0000

LAMMPS always is compiled against an MPI library, but you can use the dummy library in the src/STUBS folder to run in serial (see Makefile.serial).

You can turn off screen/log file output via command line flags, which can also be passed to the library init. 

Axel 



--
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

On Wed, May 2, 2018, 12:02 Jonathan <jb2191@...1167...> wrote:
Dear All

There is a quite nice example in the lammps "examples" directory of
showing how to use lammps as a library within c/c++.

https://github.com/lammps/lammps/blob/master/examples/COUPLE/simple/simple.cpp

However this is in MPI, does anybody know whether it is possible to
force lammps to run in serial in this mode. There is a function in the
previous file

"lmp = new LAMMPS(0, NULL, comm_lammps)"

which I'm assuming changes this behaviour.

In addition using lammps in this way is quite fast but is significantly
slowed down by printing to standard output. Does anybody know how to
suppress the output to only gather the result?

Thanks

Jonathan


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