Скачать или смотреть SPR-KKR (compiling example, gfortran + Netlib)

Sorry, this compiling kkrscf and others don't work for MPI calculation in my case. Please, use single core calculation.

###############################################################################
Here the common makefile starts which does depend on the OS ####
###############################################################################
# FC: compiler name and common options e.g. f77 -c
LINK: linker name and common options e.g. g77 -shared
FFLAGS: optimization e.g. -O3
OP0: force nooptimisation for some routiens e.g. -O0
VERSION: additional string for executable e.g. 6.3.0
LIB: library names e.g. -L/usr/lib -latlas -lblas -llapack
(lapack and blas libraries are needed)
BUILD_TYPE: string "debug" switches on debugging options
(NOTE: you may call, e.g. "make scf BUILD_TYPE=debug"
to produce executable with debugging flags from command line)
BIN: directory for executables
INCLUDE: directory for include files
(NOTE: directory with mpi include files has to be properly set
even for sequential executable)
###############################################################################

BUILD_TYPE ?=
#BUILD_TYPE := debug

VERSION = 6.3

ifeq ($(BUILD_TYPE), debug)
VERSION := $(VERSION)$(BUILD_TYPE)
endif

BIN = .
#BIN=~/bin
#BIN=/tmp/$(USER)

LIB = -L/usr/local/lib -llapack -lblas
#LIB = $(LIB_MKL)

LIBMPI =

Include mpif.h
INCLUDE = -I/usr/lib/openmpi/include

OP0 =

ifeq ($(BUILD_TYPE), debug)
FFLAGS = -O0 -g
FFLAGS = -O0 -g -Wall -fbounds-check -fbacktrace
FFLAGS = -O0 -check all -traceback -fpe0 -g -fp-stack-check -ftrapuv -CU ### for ifort
else
FFLAGS = -O2 -m64
FFLAGS = -O2 -axSSE4.2 -diag-disable remark ### for ifort
endif


FC = mpif90.openmpi -c $(FFLAGS) $(INCLUDE)
LINK = mpif90.openmpi $(FFLAGS) $(INCLUDE)

MPI=MPI