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Makefile.arch.cori
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Makefile.arch.cori
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# As of 1 Jun 2017
#
# Currently Loaded Modulefiles:
# 1) modules/3.2.10.5 13) dvs/2.7_2.1.67_geb949b6-1.0000.eb949b6.2.32
# 2) nsg/1.2.0 14) alps/6.3.4-2.21
# 3) intel/17.0.2.174 15) rca/2.1.6_g2c60fbf-2.265
# 4) craype-network-aries 16) atp/2.0.3
# 5) craype/2.5.7 17) PrgEnv-intel/6.0.3
# 6) udreg/2.3.2-7.54 18) craype-haswell
# 7) ugni/6.0.15-2.2 19) cray-shmem/7.4.4
# 8) pmi/5.0.10-1.0000.11050.0.0.ari 20) cray-mpich/7.4.4
# 9) dmapp/7.1.1-39.37 21) altd/2.0
# 10) gni-headers/5.0.11-2.2 22) darshan/3.1.4
# 11) xpmem/2.1.1_gf9c9084-2.38 23) fftw/3.3.4.10
# 12) job/2.1.1_gc1ad964-2.175
# Actual changes
# module unload cray-libsci
# module load fftw
# Fortran compiler
FC = ftn
MPIFORT = ftn
# Flags for the fortran compiler
OPTIONS = -O2 -heap-arrays 64 -cpp -DBLAS -DMPI -D__HAVE_F03 -align array64byte -xCORE-AVX2 -g -traceback
# FFTW path. Several programs can use FFTW. Find it at fftw.org.
# (There is a fallback fft so FFTW is not required)
OPTIONS += -D__FFTW3
FFTWI = -I/$(FFTW_INC)
FFTWL = -L/$(FFTW_DIR) -lfftw3
BLAS = -mkl=cluster
LEGACY_REAL = -real-size 64 -double-size 64
# Install Directory.
INSTDIR = /path/to/install/
# OCEAN can use either ABINIT or QE.
# If you only want one then leave the other's varables commented out
#######################
# ABINIT Flags
# This says where abinit and cut3d live
# (cut3d is a post-processing tool available as part of the abinit toolset)
ABINIT_DIR = /usr/common/software/abinit/8.0.8b/hsw/bin/
ABINIT_EXE = $(ABINIT_DIR)/abinit
CUT3D_EXE = $(ABINIT_DIR)/cut3d
#######################
#######################
# ESPRESSO Flags
ESPRESSO_DIR = /usr/common/software/espresso/6.1.0-scalapack/hsw/intel
PW_EXE = $(ESPRESSO_DIR)/bin/pw.x
PP_EXE = $(ESPRESSO_DIR)/bin/pp.x