intel编译器（composer_xe_2013.1.117），系统（Linux cu01 3.10.0-123.el7.x86_64 #1 SMP）

安装yambo-3.4：

1.请在终端分别输入以下东西：

export LIB_MKL=/opt/intel/mkl/10.1.2.024/lib/em64t
export CPP='icc -E'
export CXX='icc -g'
export MPICC=mpicc
export F90=ifort
export MPIF=mpif90

export PFC=mpiifort
export F77=ifort
export CFLGAS=-O2
export FFLAGS="-assume bscc -O3 -ip -xHost"
export FFLAGS_NOOPT="-O0 -assume bscc -xHost"
./configure CC=icc FC=ifort

2.在config中找到report

#
# [VER] 3.4.1 r.3187
#
# [SYS] linux@x86_64
# [SRC] /home/plgong/software/yambo-3.4.1
# [BIN] /home/plgong/software/yambo-3.4.1/bin
# [FFT] Goedecker Fast Fourier transform with 0 cache
#
# [ ] Double precision
# [X] Redundant compilation  
# [X] MPI
# [ ] OpenMP
# [ ] PW (5.0) support
# [ ] ETSF I/O support
# [ ] SCALAPACK
# [   ] NETCDF/HDF5/Large Files
# [XX ] Built-in BLAS/LAPACK/LOCAL
#
# [ CPP ] icc -E -ansi  
# [  C  ] icc -O3 -D_C_US -D_FORTRAN_US
# [MPICC] mpicc -O3 -D_C_US -D_FORTRAN_US
# [ F90 ] ifort -assume bscc -O3 -ip -xHost  
# [MPIF ] mpiifort -assume bscc -O3 -ip -xHost  
# [ F77 ] ifort  -assume bscc -O3 -ip -xHost
# [Cmain] -nofor_main
# [NoOpt] -assume bscc -O0 -xHost
#
# [ MAKE ] make
# [EDITOR] vim
3. 等待编译......

4. 成功安装。

注意：可以不需要netcdf，还有pwscf可以不用在这里链接。

如果安装有问题，可以求助yambo的forum，地址（http://www.yambo-code.org/forum/viewtopic.php?f=1&t=917）。

软件

yambo-3.2.5-rev.26.tar.gz

netcdf-4.0.1.tar.z

yambo-3.4.1-rev51.tgz

2.在tc4600安装

1.注意pwscf与yambo用到的编译器一致才可以

2.pwscf5.1安装，用intel

pwscf5.1 install:
./configure FC=ifort  FCFLAGS=-O2 CPP="icc -E" CXX='icc -g' MPICC=mpicc
F90=ifort MPIF90=mpiifort  PFC=mpiifort F77=ifort CFLAGS=-O2 FFLAGS="-O3"
FFLAGS_NOOPT='-O0' CC=icc
然后修改make.sys
   BLAS_LIBS      = -L/opt/intel/composer_xe_2015.1.133/mkl/lib/intel64/
   -lmkl_intel_lp64  -lmkl_sequential -lmkl_core
   LAPACK_LIBS    = -L/opt/intel/composer_xe_2015.1.133/mkl/lib/intel64/
   -lmkl_intel_lp64  -lmkl_sequential -lmkl_core
   SCALAPACK_LIBS = -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64

3. yambo3.4安装

./configure FC=ifort
--with-blas="-L/opt/intel/composer_xe_2015.1.133/mkl/lib/intel64/ -lmkl_core
-lmkl_intel_lp64 -lmkl_sequential"
--with-lapack="-L/opt/intel/composer_xe_2015.1.133/mkl/lib/intel64/ -lmkl_core
-lmkl_intel_lp64 -lmkl_sequential"
--with-blacs="-L/opt/intel/composer_xe_2015.1.133/mkl/lib/intel64/ -lmkl_core
-lmkl_intel_lp64 -lmkl_sequential"
--with-scalapack="-L/opt/intel/composer_xe_2015.1.133/mkl/lib/intel64/
-lmkl_core -lmkl_intel_lp64 -lmkl_sequential" FCFLAGS=-O2 CPP="icc -E"
CXX='icc -g' MPICC=mpicc F90=ifort MPIF=mpiifort  PFC=mpiifort F77=ifort
CFLAGS=-O2 FFLAGS="-assume bscc -O3 -ip -xHost" FFLAGS_NOOPT='-O0 -assume bscc
-xHost' CC=icc --with-iotk=/home/issp/plgong/soft/espresso-5.1.1/iotk/
--with-p2y=5.0



4. 修改bashrc
# Source global definitions
if [ -f /etc/bashrc ]; then
       . /etc/bashrc
       fi

# User specific aliases and functions

    source /opt/intel/composer_xe_2015.1.133/bin/compilervars.sh intel64
#source /opt/intel/composer_xe_2015.1.133/mkl/bin/mklvars.sh  intel64
#source /opt/intel/impi/5.0.1.035/bin64/mpivars.sh  intel64
#export PATH=/opt/intel/impi/5.0.1.035/intel64/bin/:$PATH   ####key for mpif90
#export LD4=$LD4:/opt/intel/composer_xe_2015.1.133/bin/intel64/
#export PATH=/opt/intel/bin/:$PATH  ###for ifort
#export PATH=/opt/intel/composer_xe_2015.1.133/bin/intel64/:$PATH
##VASP5.3
       export PATH=/opt/bin/:$PATH

###QE5.1 and yambo 3.4
      export PATH=/home/issp/plgong/soft/espresso-5.1.1/bin:$PATH
       export PATH=/home/issp/plgong/soft/YBintel/yambo-3.4.1/bin:$PATH