[交流] 【求助】vasp 编译出错，请大家帮忙

Originally posted by gleerat at 2010-01-20 10:19:35:

你的是64位系统？你使用的是64位数学库。建议你把你的机器及系统配置贴出来让大家都看看（数学库对此要求很严格）。

你的MKL库不对。如果你是Intel的CPU，建议你用MKL；如果是你是AMD的CPU，则不建议你用MKL ...

Originally posted by 405963512 at 2010-1-19 22:10:
我在编译vasp是，出现下面的错误
/home/fyu/intel/cmkl/10.1.2.024/lib/em64t/libmkl_lapack.so: undefined reference to `mkl_serv_load_fun'
/home/fyu/intel/cmkl/10.1.2.024/lib/em64t/libmkl_lapack.so: u ...

Originally posted by 405963512 at 2010-1-19 22:10:
BLAS=-L/home/fyu/intel/cmkl/10.1.2.024/lib/em64t -lmkl_em64t -lguide -lpthread
LAPACK= -lmkl_lapack

# Atlas based libraries
#ATLASHOME= /usr/lib/blas/threaded-atlas
#BLAS=   -L/usr/lib/blas/atlas -lblas
#BLAS=   -L$(ATLASHOME)  -lf77blas -latlas

# use specific libraries (default library path points to other libraries)
#BLAS= $(ATLASHOME)/libf77blas.a $(ATLASHOME)/libatlas.a

# use the mkl Intel libraries for p4 (www.intel.com)
BLAS= -L/opt/intel/mkl/10.2.2.025/lib/32 -lmkl_intel -lpthread -lmkl_sequential -lmkl_core

# LAPACK, simplest use vasp.4.lib/lapack_double
#LAPACK= ../vasp.4.lib/lapack_double.o

# use atlas optimized part of lapack
#LAPACK= ../vasp.4.lib/lapack_atlas.o  -llapack -lblas

# use the mkl Intel lapack
LAPACK= -L/opt/intel/mkl/10.2.2.025/lib/32 -lmkl_intel -lmkl_lapack -lmkl_sequential -lmkl_core

#LAPACK= -L/usr/lib/lapack/atlas -llapack