代码： 全选
gleerat@gleerat-desktop:/tmp/vasp.4.6$ make -f makefile.linux_gfortran
makefile.linux_gfortran:333: warning: overriding commands for target `xcgrad.o'
makefile.linux_gfortran:280: warning: ignoring old commands for target `xcgrad.o'
rm -f vasp gfortran -o vasp main.o base.o mpi.o smart_allocate.o xml.o constant.o jacobi.o main_mpi.o scala.o asa.o lattice.o poscar.o ini.o setex.o radial.o pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o symmetry.o symlib.o lattlib.o random.o nonl.o nonlr.o dfast.o choleski2.o mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o tet.o hamil.o steep.o chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o ebs.o wavpre.o wavpre_noio.o broyden.o dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o brent.o stufak.o fileio.o opergrid.o stepver.o dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o edtest.o electron.o shm.o pardens.o paircorrection.o optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o setlocalpp.o aedens.o fft3dfurth.o fft3dlib.o -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o -L/opt/Linux_P4SSE2/lib/atlas -llapack -L/opt/Linux_P4SSE2/lib/atlas -lblas
/usr/bin/ld: cannot find -llapack
collect2: ld returned 1 exit status
make: *** [vasp] Error 1
gleerat@gleerat-desktop:/tmp/vasp.4.6$
代码： 全选
# Atlas based libraries
#ATLASHOME= /opt/Linux_P4SSE2/lib
BLAS= -L/opt/Linux_P4SSE2/lib/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/lib/32 -lmkl_p4 -lpthread
# 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 liblapack libf77blas
# use the mkl Intel lapack.a
#LAPACK= -lmkl_lapack.a
LAPACK= -L/opt/Linux_P4SSE2/lib/atlas -llapack
