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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8669 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-08-15 14:18:34 +00:00
parent e02a64ecc0
commit 127f12e6fa
5 changed files with 1212 additions and 1105 deletions
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1
examples/COUPLE/fortran2/LAMMPS-wrapper.cpp
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@ -30,6 +30,7 @@
#include <compute.h> #include <compute.h>
#include <modify.h> #include <modify.h>
#include <error.h> #include <error.h>
#include <cstdlib>
using namespace LAMMPS_NS; using namespace LAMMPS_NS;

8
examples/COUPLE/fortran2/LAMMPS-wrapper.h
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@ -21,12 +21,6 @@
library.h. All prototypes herein COULD be added to library.h instead of library.h. All prototypes herein COULD be added to library.h instead of
including this as a separate file. See the README for instructions. */ including this as a separate file. See the README for instructions. */
/* These prototypes probably belong in mpi.h in the src/STUBS directory. */
#ifndef OPEN_MPI
#define MPI_Comm_f2c(a) a
#define MPI_Fint int
#endif
#ifdef __cplusplus #ifdef __cplusplus
extern "C" { extern "C" {
#endif #endif
@ -38,7 +32,7 @@ int lammps_extract_compute_vectorsize (void*, char*, int);
void lammps_extract_compute_arraysize (void*, char*, int, int*, int*); void lammps_extract_compute_arraysize (void*, char*, int, int*, int*);
int lammps_extract_fix_vectorsize (void*, char*, int); int lammps_extract_fix_vectorsize (void*, char*, int);
void lammps_extract_fix_arraysize (void*, char*, int, int*, int*); void lammps_extract_fix_arraysize (void*, char*, int, int*, int*);
void lammps_error_all (void *ptr, const char*, int, const char*); void lammps_error_all (void*, const char*, int, const char*);
#ifdef __cplusplus #ifdef __cplusplus
} }

2300
examples/COUPLE/fortran2/LAMMPS.F90
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6
examples/COUPLE/fortran2/README
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@ -12,7 +12,7 @@ questions:
Karl D. Hammond Karl D. Hammond
University of Tennessee, Knoxville University of Tennessee, Knoxville
karlh at ugcs.caltech.edu karlh at ugcs.caltech.edu
karlh atutk.edu karlh at utk.edu
------------------------------------- -------------------------------------
@ -27,7 +27,7 @@ compile.
The following steps will work to compile this module (replace ${LAMMPS_SRC} The following steps will work to compile this module (replace ${LAMMPS_SRC}
with the path to your LAMMPS source directory): with the path to your LAMMPS source directory):
(1) Compile LAMMPS as a static library. Call the resulting file ${LAMMPS_LIB}, (1) Compile LAMMPS as a static library. Call the resulting file ${LAMMPS_LIB},
which will have an actual name lake liblammps_openmpi.a. If compiling which will have an actual name lake liblmp_openmpi.a. If compiling
using the MPI stubs in ${LAMMPS_SRC}/STUBS, you will need to know where using the MPI stubs in ${LAMMPS_SRC}/STUBS, you will need to know where
libmpi.a is as well (I'll call it ${MPI_STUBS} hereafter) libmpi.a is as well (I'll call it ${MPI_STUBS} hereafter)
(2) Copy said library to your Fortran program's source directory or include (2) Copy said library to your Fortran program's source directory or include
@ -61,7 +61,7 @@ with the path to your LAMMPS source directory):
need to have the .mod file from part (3). need to have the .mod file from part (3).
It is also possible to add LAMMPS.o and LAMMPS-wrapper.o into the It is also possible to add LAMMPS.o and LAMMPS-wrapper.o into the
LAMMPS library (e.g., liblammps_openmpi.a) instead of creating a separate LAMMPS library (e.g., liblmp_openmpi.a) instead of creating a separate
library, like so: library, like so:
ar rs ${LAMMPS_LIB} LAMMPS.o LAMMPS-wrapper.o ar rs ${LAMMPS_LIB} LAMMPS.o LAMMPS-wrapper.o
In this case, you can now use the Fortran wrapper functions as if they In this case, you can now use the Fortran wrapper functions as if they

2
examples/COUPLE/fortran2/makefile
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@ -1,7 +1,7 @@
SHELL = /bin/sh SHELL = /bin/sh
# Path to LAMMPS extraction directory # Path to LAMMPS extraction directory
LAMMPS_ROOT = ../svn-dist LAMMPS_ROOT = ../../..
LAMMPS_SRC = $(LAMMPS_ROOT)/src LAMMPS_SRC = $(LAMMPS_ROOT)/src
# Remove the line below if using mpicxx/mpic++ as your C++ compiler # Remove the line below if using mpicxx/mpic++ as your C++ compiler