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


From: Jonathan <jb2191@...1167...>
Date: Wed, 2 May 2018 16:57:16 +0100

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