Vasp compilation problem using ifort 10.1
Posted: Mon Jan 21, 2008 10:06 pm
Dear Vasp Experts,
I am trying to compile VASP on a linux system using ifort 10.1. I was able to fix several problems based on the postings on this website.
But during the linking stage, the following errors were given. I was compiling the serial version and use the Makefile based on the makefile.linux_ifc_P4. Could you please give some suggestions?
Many thanks in advance!
Jim
Error message as below:
==========================
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 fftw3d.o fft3dlib.o /home/du/fftw-3.1.2/lib/libfftw3.a -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o ../vasp.4.lib/lapack_double.o /home/du/GotoBLAS/libgoto_core2-r1.21.a
lattlib.o(.text+0x6e9b): In function `latord_':
: undefined reference to `vmldRound2'
lattlib.o(.text+0x6ee2): In function `latord_':
: undefined reference to `vmlsRound4'
lattlib.o(.text+0x6f0d): In function `latord_':
: undefined reference to `vmldRound2'
elf.o(.text+0x24bb): In function `elfcal_':
: undefined reference to `vmldPow2'
elf.o(.text+0x25c1): In function `elfcal_':
: undefined reference to `vmldPow2Mask'
elf.o(.text+0x26be): In function `elfcal_':
: undefined reference to `vmldPow2'
paw.o(.text+0x4305): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x4336): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x435f): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
paw.o(.text+0x4388): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
paw.o(.text+0x43d1): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x43e6): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x43fb): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
paw.o(.text+0x4410): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
paw.o(.text+0x4425): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x4a40): In function `paw_mp_augsym_noncol_':
paw.o(.text+0x733c): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
fft3dlib.o(.text+0x3e5c): In function `ftrigc_':
: undefined reference to `vmldSinCos2'
fft3dlib.o(.text+0x3ec4): In function `ftrigc_':
: undefined reference to `vmldCos2'
fft3dlib.o(.text+0x3ed5): In function `ftrigc_':
: undefined reference to `vmldSin2'
fft3dlib.o(.text+0x3fa4): In function `ftrigr_':
: undefined reference to `vmldSinCos2'
fft3dlib.o(.text+0x4026): In function `ftrigr_':
: undefined reference to `vmldCos2'
fft3dlib.o(.text+0x4037): In function `ftrigr_':
: undefined reference to `vmldSin2'
fft3dlib.o(.text+0x4130): In function `ftrigr_':
: undefined reference to `vmldSinCos2'
fft3dlib.o(.text+0x4205): In function `ftrigr_':
: undefined reference to `vmldCos2'
fft3dlib.o(.text+0x4216): In function `ftrigr_':
: undefined reference to `vmldSin2'
make: *** [vasp] Error 1
I am trying to compile VASP on a linux system using ifort 10.1. I was able to fix several problems based on the postings on this website.
But during the linking stage, the following errors were given. I was compiling the serial version and use the Makefile based on the makefile.linux_ifc_P4. Could you please give some suggestions?
Many thanks in advance!
Jim
Error message as below:
==========================
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 fftw3d.o fft3dlib.o /home/du/fftw-3.1.2/lib/libfftw3.a -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o ../vasp.4.lib/lapack_double.o /home/du/GotoBLAS/libgoto_core2-r1.21.a
lattlib.o(.text+0x6e9b): In function `latord_':
: undefined reference to `vmldRound2'
lattlib.o(.text+0x6ee2): In function `latord_':
: undefined reference to `vmlsRound4'
lattlib.o(.text+0x6f0d): In function `latord_':
: undefined reference to `vmldRound2'
elf.o(.text+0x24bb): In function `elfcal_':
: undefined reference to `vmldPow2'
elf.o(.text+0x25c1): In function `elfcal_':
: undefined reference to `vmldPow2Mask'
elf.o(.text+0x26be): In function `elfcal_':
: undefined reference to `vmldPow2'
paw.o(.text+0x4305): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x4336): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x435f): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
paw.o(.text+0x4388): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
paw.o(.text+0x43d1): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x43e6): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x43fb): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
paw.o(.text+0x4410): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldSin2'
paw.o(.text+0x4425): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
paw.o(.text+0x4a40): In function `paw_mp_augsym_noncol_':
paw.o(.text+0x733c): In function `paw_mp_augsym_noncol_':
: undefined reference to `vmldCos2'
fft3dlib.o(.text+0x3e5c): In function `ftrigc_':
: undefined reference to `vmldSinCos2'
fft3dlib.o(.text+0x3ec4): In function `ftrigc_':
: undefined reference to `vmldCos2'
fft3dlib.o(.text+0x3ed5): In function `ftrigc_':
: undefined reference to `vmldSin2'
fft3dlib.o(.text+0x3fa4): In function `ftrigr_':
: undefined reference to `vmldSinCos2'
fft3dlib.o(.text+0x4026): In function `ftrigr_':
: undefined reference to `vmldCos2'
fft3dlib.o(.text+0x4037): In function `ftrigr_':
: undefined reference to `vmldSin2'
fft3dlib.o(.text+0x4130): In function `ftrigr_':
: undefined reference to `vmldSinCos2'
fft3dlib.o(.text+0x4205): In function `ftrigr_':
: undefined reference to `vmldCos2'
fft3dlib.o(.text+0x4216): In function `ftrigr_':
: undefined reference to `vmldSin2'
make: *** [vasp] Error 1