[lammps-users] compile lammps w/h MEAM on TACC

Attached makefile for our cluster (at NNL) where I've successfully linked
MEAM to Lammps.
We use the openMPI (with GCC 4.1) wrapper scripts to handle compiling and
linking.

Sorry I can't help more.

# linux = RedHat Linux box, Intel icc, MPICH, FFTW

SHELL = /bin/sh
#.IGNORE:

# System-specific settings

CC = mpiCC
CCFLAGS = -O3 -I/gpfs/progs/Libraries/fftw-2.1.5/lib
-I/gpfs/progs/Libraries/fftw-2.1.5/include -DFFT_FFTW
DEPFLAGS = -M
LINK = mpiCC #mpic++
LINKFLAGS = -O3 -L~/LAMMPS_COMPILE/lammps-9Jan09/lib/meam
-L/gpfs/progs/Libraries/fftw-2.1.5/lib \
                -L/gpfs/progs/Libraries/fftw-2.1.5/include
USRLIB = -lfftw -lmeam -lgfortran
SYSLIB =
SIZE = size

# Link target

\(EXE\): (OBJ)
        \(LINK\) (LINKFLAGS) \(OBJ\) (USRLIB) \(SYSLIB\) \-o (EXE)
        \(SIZE\) (EXE)

# Library target

lib: \(OBJ\)         (ARCHIVE) \(ARFLAGS\) (EXE) $(OBJ)

# Compilation rules

\.o:.cpp
        \(CC\) (CCFLAGS) -c $<

\.d:.cpp
        \(CC\) (CCFLAGS) \(DEPFLAGS\) < > [email protected]

# Individual dependencies

DEPENDS = \(OBJ:\.o=\.d\) include (DEPENDS)

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