lammps on supercomputer

Hi all

I want to install 20Apr11 LAMMPS on a supercomputer, but after changing make file of “Makefile.linux” as the following and type “make” in src folder,when I type in terminal in “src” folder “make linux” I receive the following error. Would you please help me?

linux = RedHat Linux box, Intel icc, Intel ifort, MPICH2, FFTW

SHELL = /bin/sh

---------------------------------------------------------------------

compiler/linker settings

specify flags and libraries needed for your compiler

CC = /home/maria/openmpi-1.4.2/prefix/bin/mpicc
CCFLAGS = -g -O -L/home/mariai/fftw-2.1.5/prefix/include-DFFT_FFTW -DOM$
DEPFLAGS = -M
LINK = /home/maria/openmpi-1.4.2/prefix/bin/mpicc
LINKFLAGS = -O -L/home/maria/openmpi-1.4.2/prefix/lib -L/home/khiabani/f$
LIB = -lstdc++
ARCHIVE = ar
ARFLAGS = -rc
SIZE = size

---------------------------------------------------------------------

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Error is as following:

ngle_charmm.o: In function Intracomm': /home/khiabani/openmpi-1.4.2/prefix/include/openmpi/ompi/mpi/cxx/intracomm.h:25: undefined reference to MPI::Comm::Comm()’
/home/khiabani/openmpi-1.4.2/prefix/include/openmpi/ompi/mpi/cxx/intracomm.h:25: undefined reference to MPI::Comm::Comm()' angle_charmm.o: In function Intracomm’:
/home/khiabani/openmpi-1.4.2/prefix/include/openmpi/ompi/mpi/cxx/intracomm_inln.h:23: undefined reference to MPI::Comm::Comm()' angle_charmm.o: In function Intracomm’:
/home/khiabani/openmpi-1.4.2/prefix/include/openmpi/ompi/mpi/cxx/intracomm.h:25: undefined reference to MPI::Comm::Comm()' /home/khiabani/openmpi-1.4.2/prefix/include/openmpi/ompi/mpi/cxx/intracomm.h:25: undefined reference to MPI::Comm::Comm()’
angle_charmm.o:/home/mariai/openmpi-1.4.2/prefix/include/openmpi/ompi/mpi/cxx/intracomm.h:25: more undefined references to MPI::Comm::Comm()' follow angle_charmm.o:(.rodata._ZTVN3MPI3WinE[vtable for MPI::Win]+0x24): undefined reference to MPI::Win::Free()’
angle_charmm.o:(.rodata._ZTVN3MPI8DatatypeE[vtable for MPI::Datatype]+0x3c): undefined reference to MPI::Datatype::Free()' collect2: ld returned 1 exit status make[1]: *** [../lmp_linux] Error 1 make[1]: Leaving directory /home/maria/lammps-20Apr11/src/Obj_linux’
make: *** [linux] Error 2

Would you please help me?

Maria

Hi all

I want to install 20Apr11 LAMMPS on a supercomputer, but after changing make
file of "Makefile.linux" as the following and type "make" in src folder,when
I type in terminal in "src" folder "make linux" I receive the following
error. Would you please help me?

please try by adjusting the openmpi makefile
and then get help from a local system administrator.
every machine is different, and a local person usually
knows more about it than somebody remote.

axel.