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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10510 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-08-01 16:25:10 +00:00
parent 217a0a3b7f
commit f839dbf2c5
2 changed files with 16 additions and 7 deletions
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21
examples/COUPLE/simple/README
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@ -17,22 +17,29 @@ driver in addition requires a wrapper library that interfaces the C
interface of the LAMMPS library to Fortran and also translates the MPI interface of the LAMMPS library to Fortran and also translates the MPI
communicator from Fortran to C. communicator from Fortran to C.
You can then build either driver code with a compile line something First, you must build LAMMPS as a library, either static or shared.
like this, which includes paths to the LAMMPS library interface, MPI, See http://lammps.sandia.gov/doc/Section_start.html#start_5 for
and FFTW (assuming you built LAMMPS as a library with its PPPM details. To build it as a static library type this from
solver). the src directory:
make makelib
make -f Makefile.lib g++
You can then build either driver code with a compile lines like these,
which include paths to the LAMMPS library interface, MPI, and FFTW
(assuming you built LAMMPS as a library with its PPPM solver).
This builds the C++ driver with the LAMMPS library using a C++ compiler: This builds the C++ driver with the LAMMPS library using a C++ compiler:
g++ -I/home/sjplimp/lammps/src -c simple.cpp g++ -I/home/sjplimp/lammps/src -c simple.cpp
g++ -L/home/sjplimp/lammps/src simple.o \ g++ -L/home/sjplimp/lammps/src simple.o \
-llmp_g++ -lfftw -lmpich -lmpl -lpthread -o simpleCC -llammps_g++ -lfftw -lmpich -lmpl -lpthread -o simpleCC
This builds the C driver with the LAMMPS library using a C compiler: This builds the C driver with the LAMMPS library using a C compiler:
gcc -I/home/sjplimp/lammps/src -c simple.c gcc -I/home/sjplimp/lammps/src -c simple.c
gcc -L/home/sjplimp/lammps/src simple.o \ gcc -L/home/sjplimp/lammps/src simple.o \
-llmp_g++ -lfftw -lmpich -lmpl -lpthread -lstdc++ -o simpleC -llammps_g++ -lfftw -lmpich -lmpl -lpthread -lstdc++ -o simpleC
This builds the Fortran wrapper and driver with the LAMMPS library This builds the Fortran wrapper and driver with the LAMMPS library
using a Fortran and C compiler, using the wrapper in the fortran using a Fortran and C compiler, using the wrapper in the fortran
@ -42,7 +49,7 @@ cp ../fortran/libfwrapper.c .
gcc -I/home/sjplimp/lammps/src -c libfwrapper.c gcc -I/home/sjplimp/lammps/src -c libfwrapper.c
gfortran -I/home/sjplimp/lammps/src -c simple.f90 gfortran -I/home/sjplimp/lammps/src -c simple.f90
gfortran -L/home/sjplimp/lammps/src simple.o libfwrapper.o \ gfortran -L/home/sjplimp/lammps/src simple.o libfwrapper.o \
-llmp_g++ -lfftw -lfmpich -lmpich -lpthread -lstdc++ -o simpleF -llammps_g++ -lfftw -lfmpich -lmpich -lpthread -lstdc++ -o simpleF
You then run simpleCC, simpleC, or simpleF on a parallel machine You then run simpleCC, simpleC, or simpleF on a parallel machine
on some number of processors Q with 2 arguments: on some number of processors Q with 2 arguments:

2
examples/COUPLE/simple/in.lj
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@ -20,5 +20,7 @@ neigh_modify delay 0 every 20 check no
fix 1 all nve fix 1 all nve
fix 2 all external pf/callback 1 1
run 10 run 10