#============================================================================== # AMBER Makefile configuration for compiler/architecture: ifort_ia64 # Generated via command: ./configure -mpi ifort_ia64 and then modified # for use with scali by BLF on 20060222 # # Configuration script written mainly by Joe Krahn, Scott Brozell, and # Dave Case, with contributions from lots of people. #============================================================================== #------------------------------------------------------------------------------ # Main AMBER source root directory #------------------------------------------------------------------------------ AMBER_SRC=/usr/local/programs/amber9/src #------------------------------------------------------------------------------ # AMBERBUILDFLAGS provides a hook into the build process for installers; # for example, to build debug versions of the amber programs # make -e AMBERBUILDFLAGS="-DDEBUG -g" #------------------------------------------------------------------------------ AMBERBUILDFLAGS= #------------------------------------------------------------------------------ # LOCALFLAGS is intended for program specific modifications to the # Fortran build process and may be modified by the program's local makefile #------------------------------------------------------------------------------ LOCALFLAGS= #------------------------------------------------------------------------------ # Availability and method of delivery of math and optional libraries #------------------------------------------------------------------------------ USE_BLASLIB=$(VENDOR_SUPPLIED) USE_LAPACKLIB=$(VENDOR_SUPPLIED) USE_LMODLIB=$(LMOD_UNAVAILABLE) #------------------------------------------------------------------------------ # C compiler #------------------------------------------------------------------------------ ##*## CC= icc CC= gcc ##*## CPLUSPLUS=icpc CPLUSPLUS=g++ CFLAGS= -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -O2 CPPFLAGS= $(AMBERBUILDFLAGS) #------------------------------------------------------------------------------ # Fortran preprocessing and compiler. # FPPFLAGS holds the main Fortran options, such as whether MPI is used. #------------------------------------------------------------------------------ ##*## FPPFLAGS= -P -DMPI -DMKL $(AMBERBUILDFLAGS) FPPFLAGS= -P -DMPI -DMKL $(AMBERBUILDFLAGS) -I$(AMBER_SRC)/include -I/opt/scali/include FPP= cpp -traditional $(FPPFLAGS) FC= ifort FFLAGS= -w95 -ftz -mp1 -O2 $(LOCALFLAGS) $(AMBERBUILDFLAGS) FOPTFLAGS= -w95 -ftz -mp1 -O3 -IPF_fma -IPF_fp_relaxed -ip $(LOCALFLAGS) $(AMBERBUILDFLAGS) FREEFORMAT_FLAG= -FR #------------------------------------------------------------------------------ # Loader: #------------------------------------------------------------------------------ LOAD= ifort $(LOCALFLAGS) $(AMBERBUILDFLAGS) ##*## LOADCC= icc $(LOCALFLAGS) $(AMBERBUILDFLAGS) LOADCC= gcc $(LOCALFLAGS) $(AMBERBUILDFLAGS) ##*## LOADLIB= -lmpi /opt/intel/mkl721//lib/64/libmkl_lapack.a /opt/intel/mkl721//lib/64/libmkl_ipf.a -L/opt/intel/mkl721//lib/64 -lguide -lpthread -ldl LOADLIB= -lm -L/opt/scali/lib -lfmpi -lmpi /opt/intel/mkl721//lib/64/libmkl_lapack.a /opt/intel/mkl721//lib/64/libmkl_ipf.a -L/opt/intel/mkl721//lib/64 -lguide -lpthread -ldl LM= -lm LOADPTRAJ= ifort -nofor_main $(LOCALFLAGS) $(AMBERBUILDFLAGS) XHOME= /usr/X11R6 XLIBS= -L /usr/X11R6/lib #------------------------------------------------------------------------------ # Other stuff: #------------------------------------------------------------------------------ .SUFFIXES: .f90 EMPTY= AR=ar rv $(EMPTY) M4=m4 RANLIB=ranlib SFX= NETCDF= NETCDFLIB= MODULEDIR=-I MAKEDEPEND=$(AMBER_SRC)/../bin/amber_makedepend # default rules for Fortran and C compilation: .f.o: $< $(FPP) $< > _$< $(FC) -c $(FFLAGS) -o $@ _$< .c.o: $(CC) -c $(CFLAGS) $(CPPFLAGS) -o $@ $<