Vasp compilation problem using ifort 10.1
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Vasp compilation problem using ifort 10.1
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
Last edited by AuD on Mon Jan 21, 2008 10:06 pm, edited 1 time in total.
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- Global Moderator
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Re: Vasp compilation problem using ifort 10.1
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
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