how to link mpi?

[phsieh2005]

Dear Linux experts:

I am trying to compile a molecular dynamics solver called lammps wiht mpich2. I have already installed mpich2 from software.opensuse.org.

In the Makefile, it has has lines:

CC = g++
CCFLAGS = -O -g -I../../src -DMPICH_IGNORE_CXX_SEEK
ARCHIVE = ar
ARCHFLAG = -rc
DEPFLAGS = -M
LINK = g++
LINKFLAGS = -O
USRLIB =
SYSLIB =
--------------------------------
however, when I tried to compile (make -f Makefile.g++), I got the following errors:
peiying@hillsdale:~/lammps/lammps-23Jan10/lib/atc> make -f Makefile.g++
g++ -O -g -I../../src -DMPICH_IGNORE_CXX_SEEK -c ATC_HardyKernel.cpp
In file included from ATC_HardyKernel.h:5,
from ATC_HardyKernel.cpp:1:
LammpsInterface.h:6:17: error: mpi.h: No such file or directory
In file included from LammpsInterface.h:7,
from ATC_HardyKernel.h:5,
from ATC_HardyKernel.cpp:1:
../../src/lammps.h:41: error: ‘MPI_Comm’ does not name a type
../../src/lammps.h:46: error: ‘MPI_Comm’ has not been declared
In file included from ATC_HardyKernel.h:5,
from ATC_HardyKernel.cpp:1:
LammpsInterface.h:63: error: ‘MPI_Comm’ does not name a type
LammpsInterface.h: In member function ‘void ATC::LammpsInterface::set_lammps(LAMMPS_NS::LAMMPS *)’:
LammpsInterface.h:58: error: ‘class LAMMPS_NS::LAMMPS’ has no member named ‘world’
LammpsInterface.h:58: error: ‘MPI_Comm_rank’ was not declared in this scope
----------------------------

what do I need to do so that the compiler knows how to link mpich2?

Thanks!

Pei

[gogalthorp]

Looks like you are missing a header file. mpi.h

I think this may be it

http://cobweb.ecn.purdue.edu/~ee563/mpi.h

But you should really try to get help from the programmers.