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units and doc changes

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This commit is contained in:
Steve Plimpton
2018-08-31 16:05:24 -06:00
parent 944574232e
commit bc62002b1c
9 changed files with 132 additions and 44 deletions
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5
examples/COUPLE/lammps_mc/Makefile
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@ -19,10 +19,9 @@ LINKFLAGS = -g -O -L$(CSLIB)
# targets
mc: $(OBJ)
# this line if built the CSlib within lib/message with ZMQ support
# note this is using the serial (no-mpi) version of the CSlib
# first line if built the CSlib within lib/message with ZMQ support
# second line if built the CSlib without ZMQ support
$(LINK) $(LINKFLAGS) $(OBJ) -lcsnompi -lzmq -o mc
# this line if built the CSlib without ZMQ support
# $(LINK) $(LINKFLAGS) $(OBJ) -lcsnompi -o mc
clean:

34
examples/COUPLE/lammps_mc/README
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@ -22,25 +22,43 @@ change, and to run dynamics between MC moves.
----------------
Build LAMMPS and the MC client code
Build LAMMPS with its MESSAGE package installed:
First, build LAMMPS with its MESSAGE package installed:
See the Build extras doc page and its MESSAGE package
section for details.
CMake:
-D PKG_MESSAGE=yes # include the MESSAGE package
-D MESSAGE_ZMQ=value # build with ZeroMQ support, value = no (default) or yes
Traditional make:
% cd lammps/lib/message
% python Install.py -m -z # build CSlib with MPI and ZMQ support
% python Install.py -s -z # also build serial lib and ZMQ support
% cd lammps/src
% make yes-message
% make mpi
You can leave off the -z if you do not have ZMQ on your system.
Next build the MC client code, which will link with the serial CSlib.
----------------
First edit the Makefile in this dir. The CSLIB variable should be the
path to where the LAMMPS lib/message dir is on your system. If you
built the CSlib without ZMQ support you will also need to
comment/uncomment two lines. Then you can just type
Build the MC client code
The source files for the MC code are in this dir. It links with the
CSlib library in lib/message/cslib.
You must first build the CSlib in serial mode, e.g.
% cd lammps/lib/message/cslib/src
% make lib # build serial and parallel lib with ZMQ support
% make lib zmq=no # build serial and parallel lib without ZMQ support
Then edit the Makefile in this dir. The CSLIB variable should be the
path to where the LAMMPS lib/message/cslib/src dir is on your system.
If you built the CSlib without ZMQ support you will also need to
comment/uncomment one line. Then you can just type
% make