My Community

Dear Vasp users
I encountered a problem during the compilation, the following message appear :

rm -f vasp
ifort -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 fft3dfurth.o fft3dlib.o -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o -lmkl_lapack -L/opt/intel/mkl72/lib/32 -lmkl_p4 -lpthread
lattlib.o(.text+0x7825): In function `latord_':
: undefined reference to `vmlsRound4'
cl_shift.o(.text+0x7a65): In function `cl_mp_setaug_cl_':
: undefined reference to `vmldExp2'
cl_shift.o(.text+0x83a9): In function `cl_mp_augtoq_':
: undefined reference to `vmldExp2'
cl_shift.o(.text+0x90c8): In function `cl_shift_pw_':
: undefined reference to `vmldExp2'
elf.o(.text+0x4c97): In function `elfcal_':
: undefined reference to `vmldPow2Mask'
paw.o(.text+0x4faf): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x4fc6): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x4fdd): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
paw.o(.text+0x4ff4): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
paw.o(.text+0x552c): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x5543): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x555a): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
paw.o(.text+0x5571): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
paw.o(.text+0x5aba): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x5ad1): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
paw.o(.text+0x78e0): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x78f7): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x790e): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
paw.o(.text+0x7925): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
paw.o(.text+0x7ee1): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x7ef8): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
paw.o(.text+0x830a): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x8321): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x8338): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
paw.o(.text+0x834f): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
us.o(.text+0xe4c6): In function `setdij_':
: undefined reference to `vmldSinCos2'
us.o(.text+0xed6c): In function `setdij_':
: undefined reference to `vmldSinCos2'
us.o(.text+0x13d20): In function `deple_':
: undefined reference to `vmldSinCos2'
us.o(.text+0x146b6): In function `deple_':
: undefined reference to `vmldSinCos2'
fft3dlib.o(.text+0x4e6c): In function `ftrigc_':
: undefined reference to `vmldSinCos2'
fft3dlib.o(.text+0x4fcf): more undefined references to `vmldSinCos2' follow
make: *** [vasp] Erreur 1


I Tried to track the possible source of error without success, I also searched in the forum and I haven't found a similar post.
Can some one help me to solve the problem,

My sytem is :
Linux Fedora core4 2.6.9-1.667smp
ifort 8.1 + mkl 7.2

Thanks.

I founed it :

BLAS=-L/opt/intel/mkl72/lib/32/ -lmkl_p4 - -lsvml

intel compiler release 8.x affords to link the svml library (from the mkl-lib) explicitely
(either included in the loaded BLAS libraries or in the
LINK= line of the makefile)