diff --git a/src/MAKE/Makefile.liberty b/src/MAKE/Makefile.liberty index f1aa02ce4..bc2fffeb4 100755 --- a/src/MAKE/Makefile.liberty +++ b/src/MAKE/Makefile.liberty @@ -1,36 +1,47 @@ # liberty = HP cluster with dual 3.0 GHz Xeons, mpiCC, native MPI, FFTW SHELL = /bin/sh .IGNORE: # System-specific settings -FFTW = /apps/libraries/fftw/icc +# Note: this Makefile builds LAMMPS according to what modules you've loaded +# by default this is openmpi MPI +# if you want to build with mpich MPI instead, do the following: +# (1) put these lines in your .cshrc +# module switch mpi mpi/mpich-mx-1.2.7..4_intel-10.0-f025-c025 +# module load libraries/fftw-2.1.5_mpich-mx-1.2.7..4_intel-9.1-f040-c046 +# (2) your qsub environment also needs these same modules +# this will occur if you use qsub -V to inherit from your login shell + +#FFTW = /home/sjplimp/fftw/fftw_liberty CC = mpiCC -CCFLAGS = -O -DFFT_FFTW -I${FFTW}/fftw +#CCFLAGS = -O -DFFT_FFTW -I${FFTW}/fftw +CCFLAGS = -O -DFFT_FFTW -I${FFTW_INCLUDE} DEPFLAGS = -M LINK = mpiCC -LINKFLAGS = -O -L${FFTW}/fftw/.libs +#LINKFLAGS = -O -L${FFTW}/fftw/.libs +LINKFLAGS = -O -L${FFTW_LIB} USRLIB = -lfftw SYSLIB = -lstdc++ -lm SIZE = size # Link rule $(EXE): $(OBJ) $(LINK) $(LINKFLAGS) $(OBJ) $(USRLIB) $(SYSLIB) -o $(EXE) $(SIZE) $(EXE) # Compilation rules %.o:%.cpp $(CC) $(CCFLAGS) -c $< %.d:%.cpp $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS)