make.in

# Intel 16 does not have an IA32 folder
#INTELROOT = /opt/intel/compilers_and_libraries_2016/linux
#MKLROOT = /opt/intel/compilers_and_libraries_2016/linux/mkl
#MPIROOT = /home/sg/builds/mpich-intel

INTELROOT = /opt/intel/composer_xe_2015
MKLROOT = /opt/intel/composer_xe_2015/mkl
MPIROOT = /home/sg/builds/mpich-intel
CSPROOT = /home/sg/builds/casper

#CC  = ${INTELROOT}/bin/intel64/icc
#CXX = ${INTELROOT}/bin/intel64/icpc
#FC  = ${INTELROOT}/bin/intel64/ifort
#AR  = ${INTELROOT}/bin/intel64/xiar rcs

CC  = ${INTELROOT}/bin/icc
CXX = ${INTELROOT}/bin/icpc
FC  = ${INTELROOT}/bin/ifort
AR  = ${INTELROOT}/bin/xiar rcs

MPICC  = ${MPIROOT}/bin/mpicc
MPICXX  = ${MPIROOT}/bin/mpicxx

CASPER          = 1
ELEMENTAL       = 1
DYNAMIC         = 0
DO_SCF          = 0
SCF_TIMMING     = 0
SCF_OUT         = 0

#OPTFLAGS = -offload-option,mic,compiler,"-z defs -no-opt-prefetch"
OPTFLAGS  = -offload=none
OPTFLAGS += -m64 -xHost
# FP Exceptions will be thrown if fp_trap is on!
#CFLAGS    = -O3 -Wall -g -openmp -std=c99 -fno-inline -ftz -fp-port -fp-model=precise -fp-trap-all=common -fasm-blocks -fp-stack-check
#-O3 implies ftz
# See: https://software.intel.com/sites/default/files/article/164389/fp-consistency-102511.pdf
CFLAGS    = -O3 -fasm-blocks -Wall -g -openmp -std=c11 -fimf-arch-consistency=true -fp-model precise -fp-model source
# ILP64 is causing SIGFPE
#CFLAGS    = -O3 -Wall -g  -DMKL_ILP64 -qopenmp -mkl=parallel -std=c99 -fp-model fast=1 -fasm-blocks
#CFLAGS    = -O3 -Wall -g  -qopenmp -std=c99 -fasm-blocks
CFLAGS   += -Wunknown-pragmas -Wunused-variable
CFLAGS   += ${OPTFLAGS}

CSPR_INCDIR      = ${CSPROOT}/include
CSPR_LIBDIR      = ${CSPROOT}/lib
CSPR_LIBS	 = -lcasper

BLAS_INCDIR      = ${MKLROOT}/include
BLAS_LIBDIR      = ${MKLROOT}/lib/intel64
BLAS_LIBS        = -lmkl_intel_lp64 -lmkl_core -lmkl_intel_thread -lmkl_blacs_intelmpi_lp64 -lpthread -lm
# ILP64 is causing SIGFPE
#BLAS_LIBS        = -lmkl_intel_ilp64 -lmkl_core -lmkl_intel_thread -lmkl_blacs_intelmpi_ilp64 -lpthread -lm

SCALAPACK_INCDIR = ${MKLROOT}/include
SCALAPACK_LIBDIR = ${MKLROOT}/lib/intel64
SCALAPACK_LIBS   = -lmkl_scalapack_lp64
# ILP64 is causing SIGFPE
#SCALAPACK_LIBS   = -lmkl_scalapack_ilp64

MPI_INCDIR = $(MPIROOT)/include
MPI_LIBDIR = $(MPIROOT)/lib
MPI_LIBS = -lmpich -lopa -lmpl

#win create
#EL_TOP = /fast/builds/Elemental-rma-wincreate
#win alloc
EL_TOP = /fast/builds/Elemental-rma
ERD_TOP = /home/sg/proj/gtfock/libcint

EL_INCDIR = ${EL_TOP}/include
EL_LIBDIR = ${EL_TOP}/lib
EL_LIBS = -lEl

GA_TOP = /home/sg/builds/ga-5-3
ARMCI_TOP = /home/sg/builds/ga-5-3
ERD_TOP = /home/sg/proj/gtfock/libcint

GA_INCDIR = ${GA_TOP}/include
GA_LIBDIR = ${GA_TOP}/lib
GA_LIBS = -lga

ARMCI_INCDIR = ${ARMCI_TOP}/include
ARMCI_LIBDIR = ${ARMCI_TOP}/lib
ARMCI_LIBS = -larmci

ERD_INCDIR = ${ERD_TOP}/include
ERD_LIBDIR = ${ERD_TOP}/lib
ERD_LIBS = ${ERD_TOP}/lib/libcint.a ${ERD_TOP}/lib/liberd.a ${ERD_TOP}/lib/liboed.a