vasp编译
系统：CentOS6.5编译器：ifort2011.6.233
并行环境： openmpi1.4.4
vasp版本 ：vasp5.2.11
fftw库：3.3.4
我的问题是：
1. 我需要安装mkl数学库么？但是 我查了下 mkl 显示如附图，不知ifort是否自带了mkl数据库？
http://image.keyan.cc/data/bcs/2014/0804/w117h2441263_1407114404_773.png
2.编译vasPlib时 出下如下问题 不知是为何？
http://image.keyan.cc/data/bcs/2014/0804/w627h2441263_1407114683_206.png
附上我的 makefile：
.SUFFIXES: .inc .f .F
#-----------------------------------------------------------------------
# Makefile for Portlan
d Group F90/HPF compiler
# the makefile was tested only under Linux on Intel platforms
# however it might work on other platforms as well
#
# this release of vasp.4.lib contains lapack v2.0
# this can be compiled with pgf90 compiler if the option -O1 is used
#
# Mind: one user reported that he had to copy preclib.F diolib.F
#dlexlib.F and drdatab.F to the directory vasp.4.4, compile the files
#there and link them directlyinto vasp
#for no obvious reason these files could not be linked from the library
#
#-----------------------------------------------------------------------
# C-preprocessor
CPP = gcc -E -P -C
$*.F >$*.f
FC=ifort
CFLAGS = -O
FFLAGS = -O0 -FI
FREE =-FR
DOBJ =preclib.o timing_.o derrf_.o dclock_.odiolib.o dlexlib.o drdatab.o
#-----------------------------
------------------------------------------
# general rules
#-----------------------------------------------------------------------
libdmy.a: $(DOBJ) lapack
_double.o linpack_double.o lapack_atlas.o
-rm libdmy.a
ar vq libdmy.a $(DOBJ)
# files which do not require autodouble
lapack_min.o: lapack_min.f
$(FC) $(FFLAGS) $(NOFREE) -c lapack_min.f
lapack_double.o: lapack_d
ouble.f
$(FC) $(FFLAGS) $(NOFREE) -c lapack_double.f
lapack_single.o: lapack_single.f
$(FC) $(FFLAGS) $(NOFREE) -c lapack_single.f
lapack_atlas.o: lapack_atlas.f
$(FC) $(FFLAGS) $(NOFREE) -c lapack_atlas.f
linpack_double.o: linpack_double.f
$(FC) $(FFLAGS) $(NOFREE) -c linpack_double.f
linpack_single.o: linpack_single.f
$(FC) $(FFLAGS) $(NOFRE
E) -c linpack_single.f
.c.o:
$(CC) $(CFLAGS) -c $*.c
.F.o:
$(CPP)
$(FC) $(FFLAGS) $(FREE) $(INCS) -c $*.f
.F.f:
$(CPP)
.f.o:
$(FC) $(FFLAGS) $(FRE
E) $(INCS) -c $*.f
请高人指教下 谢谢. 你是否没有安装 gfortran ？
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