Dear srs.
i´m trying to compile siesta on a mpi cluster, and, siesta is retourning
me this error:
mpif90 -c -g -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT on_subs.F
mpif90 -c -g nag.f
mpif90 -c -g -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT pxf.F90
mpif90 -o siesta \
arw.o atomlwf.o bands.o bessph.o cgwf.o chkdim.o chkgmx.o
chempot.o coceri.o constr.o coxmol.o cross.o denmat.o denmatlomem.o
detover.o dfscf.o dhscf.o diagon.o digcel.o fft3d.o diagg.o diagk.o
diagkp.o diag2g.o diag2k.o diagpol.o diagsprl.o dipole.o dismin.o
dnaefs.o dot.o efield.o egandd.o ener3.o ener3lomem.o extrapol.o
extrapolon.o fixed.o gradient.o gradientlomem.o grdsam.o hsparse.o
idiag.o initatom.o initdm.o inver.o iodm.o iohs.o iolwf.o iozm.o
ipack.o iopipes.o kgrid.o kgridinit.o kinefsm.o ksv.o ksvinit.o
linpack.o madelung.o matel.o meshmatrix.o memory.o meshsubs.o minvec.o
mulliken.o naefs.o neighb.o ordern.o outcell.o outcoor.o paste.o pdos.o
pdosg.o pdosk.o pdoskp.o phirphi.o pixmol.o plcharge.o propor.o pulayx.o
ranger.o ran3.o reclat.o redcel.o reinit.o reord.o rhoofd.o rhoofdsp.o
rhooda.o savepsi.o shaper.o timer.o vmb.o vmat.o vmatsp.o volcel.o xc.o
xijorb.o cellxc.o cdiag.o rdiag.o cgvc.o cgvc_zmatrix.o iocg.o ioeig.o
iofa.o iokp.o iomd.o repol.o typecell.o ofc.o poison.o readsp.o radfft.o
siesta.o io.o spin_init.o coor.o atm_transfer.o broadcast_basis.o
eggbox.o dsyevds.o zheevds.o optical.o phirphi_opt.o reoptical.o
transition_rate.o initparallel.o setspatial.o setatomnodes.o uncell.o
cart2frac.o obc.o precision.o sys.o m_cell.o recipes.o files.o spatial.o
parallel.o parallelsubs.o parsing.o chemical.o xcmod.o atom.o
atmparams.o m_mpi_utils.o m_fdf_global.o m_history.o m_iorho.o
atmfuncs.o listsc.o memoryinfo.o m_memory.o numbvect.o sorting.o
atomlist.o atm_types.o old_atmfuncs.o radial.o m_smearing.o alloc.o
phonon.o spher_harm.o periodic_table.o version.o timestamp.o
basis_types.o xml.o pseudopotential.o basis_specs.o basis_io.o onmod.o
densematrix.o writewave.o on_subs.o fermid.o m_broyddj.o electrostatic.o
mneighb.o globalise.o siesta_cmlsubs.o siesta_cml.o units.o zmatrix.o
m_broyden_mixing.o forhar.o m_walltime.o m_wallclock.o m_iostruct.o
nlefsm.o overfsm.o conjgr.o conjgr_old.o redata.o m_broyddj_nocomm.o
broyden_optim.o ioxv.o dynamics.o md_out.o nag.o pxf.o libfdf.a
libwxml.a libxmlparser.a libmpi_f90.a\
dc_lapack.a liblapack.a libblas.a
/opt/intel/cmkl/8.1/lib/em64t/libmkl_scalapack.a
/opt/intel/cmkl/8.1/lib/em64t/libmkl_blacs_intelmpi.a dc_lapack.a
liblapack.a /opt/intel/cmkl/8.1/lib/em64t/libmkl_lapack.a libblas.a
/opt/intel/cmkl/8.1/lib/em64t/libmkl_scalapack.a(PB_Cdtypeset.o): In
function `PB_Cdtypeset':
PB_Cdtypeset.c:(.text+0x2d3): undefined reference to `dsyr_'
PB_Cdtypeset.c:(.text+0x2e4): undefined reference to `dsyr_'
/opt/intel/cmkl/8.1/lib/em64t/libmkl_scalapack.a(PB_Cztypeset.o): In
function `PB_Cztypeset':
PB_Cztypeset.c:(.text+0x2d4): undefined reference to `zgeru_'
PB_Cztypeset.c:(.text+0x2f6): undefined reference to `zher_'
PB_Cztypeset.c:(.text+0x33a): undefined reference to `zsymm_'
PB_Cztypeset.c:(.text+0x35c): undefined reference to `zsyrk_'
PB_Cztypeset.c:(.text+0x37e): undefined reference to `zsyr2k_'
/opt/intel/cmkl/8.1/lib/em64t/libmkl_scalapack.a(zvvdotu.o): In function
`zvvdotu_':
zvvdotu.f:(.text+0x13): undefined reference to `zdotu_'
make: *** [siesta] Error 1
I´m using intel fortran compiler 9 and cmkl 8.0
my arch .make
#
# This file is part of the SIESTA package.
#
# Copyright (c) Fundacion General Universidad Autonoma de Madrid:
# E.Artacho, J.Gale, A.Garcia, J.Junquera, P.Ordejon, D.Sanchez-Portal
# and J.M.Soler, 1996-2006.
#
# Use of this software constitutes agreement with the full conditions
# given in the SIESTA license, as signed by all legitimate users.
#
.SUFFIXES:
.SUFFIXES: .f .F .o .a .f90 .F90
SIESTA_ARCH=x86_64-unknown-linux-gnu--Intel
FPP=
FPP_OUTPUT=
FC=mpif90
RANLIB=ranlib
SYS=nag
SP_KIND=4
DP_KIND=8
KINDS=$(SP_KIND) $(DP_KIND)
FFLAGS=-g
FPPFLAGS= -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT
LDFLAGS=
ARFLAGS_EXTRA=
FCFLAGS_fixed_f=
FCFLAGS_free_f90=
FPPFLAGS_fixed_F=
FPPFLAGS_free_F90=
BLAS_LIBS=libblas.a
LAPACK_LIBS=dc_lapack.a liblapack.a
/opt/intel/cmkl/8.1/lib/em64t/libmkl_lapack.a
BLACS_LIBS=/opt/intel/cmkl/8.1/lib/em64t/libmkl_blacs_intelmpi.a
SCALAPACK_LIBS=/opt/intel/cmkl/8.1/lib/em64t/libmkl_scalapack.a
COMP_LIBS=dc_lapack.a liblapack.a libblas.a
NETCDF_LIBS=
LIBS=$(SCALAPACK_LIBS) $(GUIDE) $(BLACS_LIBS) $(LAPACK_LIBS)
$(BLAS_LIBS) $(NETCDF_LIBS)
#SIESTA needs an F90 interface to MPI
#This will give you SIESTA's own implementation
#If your compiler vendor offers an alternative, you may change
#to it here.
MPI_INTERFACE=libmpi_f90.a
MPI_INCLUDE=/usr/local/include
#Dependency rules are created by autoconf according to whether
#discrete preprocessing is necessary or not.
.F.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F) $<
.F90.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_free_F90) $<
.f.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_fixed_f) $<
.f90.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_free_f90) $<
thanks,
--
Att.
Guilherme Fernandes de Souza Miguel
Divisao de Redes
Diretoria de Processamento de Dados
Universidade Federal de Uberlandia
+55 34 3239 4296
--
Att.
Guilherme Fernandes de Souza Miguel
Divisao de Redes
Diretoria de Processamento de Dados
Universidade Federal de Uberlandia
+55 34 3239 4296
