git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11823 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/MAKE/Makefile.bgq

+# bgq = IBM Blue Gene/Q, multiple compiler options, native MPI, ALCF FFTW2
+
+SHELL = /bin/bash
+.SUFFIXES: .cpp .u 
+
+# ---------------------------------------------------------------------
+# build rules and dependencies
+# no need to edit this section
+# select which compiler by editing Makefile.bgq.details
+
+include ../MAKE/Makefile.bgq.details
+
+include Makefile.package.settings
+include Makefile.package
+
+EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC)
+EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH)
+EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB)
+
+# Path to src files
+
+vpath %.cpp ..
+vpath %.h ..
+
+# Link target
+
+$(EXE): $(OBJ)
+	$(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE)
+	$(SIZE) $(EXE)
+
+# Library targets
+
+lib: $(OBJ)
+	$(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ)
+
+shlib: $(OBJ)
+	$(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \
+        $(OBJ) $(EXTRA_LIB) $(LIB)
+
+# Compilation rules
+
+%.o:%.cpp
+	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
+
+%.d:%.cpp
+ifneq ($(COMPILER),XLC)
+	$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
+endif
+
+# Individual dependencies
+
+DEPENDS = $(OBJ:.o=.d)
+sinclude $(DEPENDS)
+
+

src/MAKE/Makefile.bgq.details

+# multiple compiler options for BGQ
+
+# ---------------------------------------------------------------------
+# compiler/linker settings
+# specify flags and libraries needed for your compiler
+
+# uncomment one and only one of the following three lines 
+# to choose a compiler toolchain
+
+#COMPILER = GCC
+#COMPILER = LLVM
+COMPILER = XLC
+
+ifeq ($(COMPILER),XLC)
+CC       = /bgsys/drivers/ppcfloor/comm/xl.ndebug/bin/mpixlcxx_r
+CCFLAGS  = -O3 -qarch=qp -qtune=qp -qsmp=omp -qsimd=auto -qhot=level=2 -qprefetch -qunroll=yes
+FC       = /bgsys/drivers/ppcfloor/comm/xl.ndebug/bin/mpixlf90_r
+FFLAGS   = -O3 -qarch=qp -qtune=qp -qsimd=auto -qhot=level=2 -qprefetch -qunroll=yes -qsmp=omp -qextname -qnosave
+DEPFLAGS = -M -qmakedep=gcc
+endif
+
+ifeq ($(COMPILER),GCC)
+CC       = /bgsys/drivers/ppcfloor/comm/gcc.legacy/bin/mpicxx
+CCFLAGS  = -O3 -fopenmp
+FC       = /bgsys/drivers/ppcfloor/comm/gcc.legacy/bin/mpif90
+FFLAGS   = -O3 -fopenmp
+DEPFLAGS = -M
+endif
+
+ifeq ($(COMPILER),LLVM)
+#CC       = bgclang++
+CC       = /home/projects/llvm/mpi/bgclang/bin/mpiclang++
+CCFLAGS  = -O3 -fopenmp
+DEPFLAGS = -M
+FC	 = /bin/false
+FFLAGS   = LLVM does not have a Fortran front-end!
+endif
+
+LINK      = $(CC)
+LINKFLAGS = $(CCFLAGS)
+
+ifeq ($(COMPILER),XLC)
+  MASS_LIB    = ${IBM_MAIN_DIR}/xlmass/bg/7.3/bglib64 
+  XLF_LIB     = ${IBM_MAIN_DIR}/xlf/bg/14.1/bglib64
+  XLSMP_LIB   = ${IBM_MAIN_DIR}/xlsmp/bg/3.1/bglib64
+  LIB        += -L${MASS_LIB} -L${XLF_LIB} -L${XLSMP_LIB} 
+  LIB        += -lmassv -lmass 
+  LIB        += -lxlf90_r -lxlsmp -lxlopt -lxlfmath -lxl
+endif
+
+ifeq ($(COMPILER),GCC)
+# libm is definitely slower than libmass...
+  LIB += -lm -lgfortran
+endif
+
+ifeq ($(COMPILER),LLVM)
+    SLEEF_DIR = /home/projects/llvm/sleef
+    LIB += -L${SLEEF_DIR}/lib -lsleef
+endif
+
+SIZE       = size
+
+ARCHIVE    = ar
+ARFLAGS    = -rc
+
+# BGQ should not use shared libraries
+SHFLAGS    =
+SHLIBFLAGS = 
+
+# ---------------------------------------------------------------------
+# LAMMPS-specific settings
+# specify settings for LAMMPS features you will use
+# if you change any -D setting, do full re-compile after "make clean"
+
+# LAMMPS ifdef settings, OPTIONAL
+# see possible settings in doc/Section_start.html#2_2 (step 4)
+
+LMP_INC = -DLAMMPS_GZIP
+
+# MPI library
+# see discussion in doc/Section_start.html#2_2 (step 5)
+
+MPI_PATH   = 
+MPI_PATH   = 
+MPI_LIB    =
+
+MPI_INC += -DMPICH_SKIP_MPICXX 
+MPI_LIB += #/home/jhammond/OSPRI/branches/marpn/wrap/libmpiarbrpn.a
+
+# FFT library, OPTIONAL
+# see discussion in doc/Section_start.html#2_2 (step 6)
+
+FFT_INC  = -I/soft/libraries/alcf/current/xl/FFTW2/include -DFFT_FFTW -DFFTW_SIZE
+FFT_PATH = #/soft/libraries/alcf/current/xl/FFTW2
+FFT_LIB  = -L/soft/libraries/alcf/current/xl/FFTW2/lib -ldfftw
+
+# JPEG library, OPTIONAL
+# see discussion in doc/Section_start.html#2_2 (step 7)
+# only needed if -DLAMMPS_JPEG listed with LMP_INC
+
+JPG_INC  =       
+JPG_PATH = 
+JPG_LIB  =
+