编译vasp 5.2

买了新机器：联想万全520 G7，虽然是1U机架却上了两个Xeon E5520 CPU；想着跟之前也是Intel CPU的机器差不多就把vasp 4.6的makefile改改拿来编译

FFLAGS = -I/export/intel/mkl/9.0/include/fftw -FR -lowercase -assume byterecl OFLAG=-O3 -xT -tpp7 OFLAG_HIGH = $(OFLAG) OBJ_HIGH = OBJ_NOOPT = DEBUG = -FR -O0 INLINE = $(OFLAG) BLAS=-L/export/intel/mkl/9.0/lib/em64t -lmkl_em64t -lguide -lpthread LAPACK=-L/export/intel/mkl/9.0/lib/em64t -lmkl_lapack FC=/usr/OFED/mpi/intel/mvapich-0.9.9/bin/mpif90 FCL=$(FC) CPP = $(CPP_) -DMPI -DHOST=/"LinuxIFC/" -DIFC / -Dkind8 -DNGZhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc / -DMPI_BLOCK=500 / -DRPROMU_DGEMV -DRACCMU_DGEMV FFT3D = fftmpi.o fftmpi_map.o fft3dfurth.o fft3dlib.o

编通之后随便拿两个氢原子run了一下发现似乎没啥问题，直到师兄要算一个较大玩意儿时候才发现一堆报错：

running /export/home/libo/dpool1/vasp4.6_amd_3 on 8 LINUX ch_p4 processors Created /export/home/libo/test/test_vasp_5/PI20064 running on 8 nodes d