lapack安装_Linux安装ShengBTE(以本人超算为例）

第一步：去此网址下载ShengBTE(https://bitbucket.org/sousaw/shengbte)

上传至安装目录:/lustre/ISSP2/xm/software;

安装好spglib，比如我的目录：/lustre/ISSP2/xm/software/sousaw-thirdorder-b6962b2088ec/spglib

第二步：根据arch.make.example编辑arch.make,并把编辑好的arch.make复制到Src

目录下；

arch.make.example

export FFLAGS=-traceback -debug -O2 -static_intel

export LDFLAGS=-L/home/user/REPOSITORY/spglib/lib -lsymspg

export MPIFC=mpif90

MKL=$(MKLROOT)/lib/em64t/libmkl_lapack95_lp64.a -Wl,--start-group

$(MKLROOT)/lib/em64t/libmkl_intel_lp64.a

$(MKLROOT)/lib/em64t/libmkl_sequential.a

$(MKLROOT)/lib/em64t/libmkl_core.a -Wl,--end-group -lpthread -lm

export LAPACK=$(MKL)

export LIBS=$(LAPACK)

安装所需要的arch.make

#export FFLAGS=-traceback -debug -O2 -static_intel

export FFLAGS= -deb