compilation error-library error

john_2 · ‎11-09-2008

Dear all,

I'm using ifort to compile a software package called Siesta, that is used to solve quantum mechanics problems. It has a makefile and a file named arch.make, these files are used to compile the package in Linux. I'm using Mandriva 2008 and trying to compile the package and get the errors shown at the bottom. I also included the Makefile and its included file arch.make. How can I modify the Makefile to get rid of these errors and compile it successfully?

Thanks in advance and regards,

John

Makefile

---------------------------

#Makefile for siesta

#

.SUFFIXES: .f .F .o .a .f90 .F90

#

VPATH= ./ : ../NETransport/ : ../Interface : ../smeagolpack

#

default: what siesta gen-basis

#

include arch.make

#

# Uncomment the following line for debugging support

#

#FFLAGS=$(FFLAGS_DEBUG)

#

what:

@echo

@echo "Compilation architecture to be used: ${SIESTA_ARCH}"

@echo "If this is not what you want, create the right"

@echo "arch.make file using the models in Sys"

@echo

@echo "Hit ^C to abort..."

@sleep 2

#

SYSOBJ=$(SYS).o

#

# Note that machine-specific files are now in top Src directory.

#

OBJS = arw.o atomlwf.o bands.o bessph.o cgwf.o chkdim.o chkgmx.o \

chempot.o coceri.o conjgr.o constr.o coxmol.o cross.o \

denmat.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 dynamics.o \

efield.o egandd.o ener3.o extrapol.o extrapolon.o \

fermid.o fixed.o forhar.o gradient.o grdsam.o \

hsparse.o idiag.o initatom.o initdm.o inver.o \

iodm.o iohs.o iolwf.o iorho.o ioxv.o ipack.o \

kgrid.o kgridinit.o kinefsm.o ksv.o ksvinit.o \

madelung.o matel.o meshmatrix.o memory.o meshsubs.o \

minvec.o mulliken.o naefs.o neighb.o nlefsm.o \

on_subs.o ordern.o outcell.o outcoor.o overfsm.o \

paste.o pdos.o pdosg.o pdosk.o phirphi.o pixmol.o plcharge.o \

timestamp.o propor.o pulayx.o \

ranger.o ran3.o recipes.o reclat.o redata.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 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 transfer.o\

broadcast_basis.o sig.o eggbox.o

#linpack.o

#

FDF=libfdf.a

$(FDF):

(cd fdf ; $(MAKE) module)

#

# Routines using fdf calls.

#

dhscf.o initdm.o iodm.o iohs.o iolwf.o iorho.o grdsam.o : $(FDF)

recoor.o outcoor.o ioxv.o kgrid.o kgridinit.o ksv.o : $(FDF)

redata.o siesta.o diagon.o pdos.o plcharge.o: $(FDF)

coor.o cgvc.o iocg.o ioeig.o iofa.o iokp.o iomd.o repol.o ofc.o : $(FDF)

readsp.o eggbox.o reademtr.o : $(FDF)

#

atom.o basis_specs.o: $(FDF)

gen-basis.o: $(FDF)

TRANSPORTOBJ= leads_complex.o negf.o identify.o \

diagonal_alex.o misc.o selfenergy.o gauleg.o transm.o \

invert.o decimate_leads.o gensvd.o rank.o negfk.o negf2g.o \

negf2k.o localdos.o gaucheb.o

INTERFACEOBJ = dmbk.o emt2g.o emt2k.o emtg.o emtk.o emtrans.o \

bulktrans.o vmattr.o vvbias.o hsleads.o hsl.o hslk.o \

reademtr.o pasbias.o shifth.o absdiff.o

TRANSPORT=NETransport

$(TRANSPORT): $(TRANSPORTOBJ)

INTERFACE=Smeagol_Siesta

$(INTERFACE): $(INTERFACEOBJ)

# If you don't want to use your own LINPACK subroutines

# you should comment the lines below

#

LINPACK=linpack.smeagol.a

$(LINPACK):

(cd ../linpack; $(FC) $(TRANSPORTFLAGS) *.f; \

ar -rv linpack.smeagol.a *.o; \

mv linpack.smeagol.a $(SOURCE_DIR)/Src)

LINPACKOBJ = dcabs1.o zgedi.o zgefa.o

dcabs1.o zgedi.o zgefa.o : $(LINPACK)

# If want to use SIESTA provided LINPACK subroutines

# contained in file linpack.F you should uncomment

# the lines below

#

#LINPACKOBJ=linpack.o

#LINPACK=linpack

#$(LINPACK): $(LINPACKOBJ)

# If you wish to provide your own lapack driver

# subroutines you should uncomment the following lines

#

#SMEAGOLLAPACK = lapack.smeagol.a

#$(SMEAGOLLAPACK):

# (cd ../smeagolpack; $(FC) $(TRANSPORTFLAGS) *.f;\

# ar -rv lapack.smeagol.a *.o; \

# mv lapack.smeagol.a $(SOURCE_DIR)/Src)

#SMEAGOLPACKOBJ = zsytf2.o zsytrf.o zsytri.o ieeeck.o ilaenv.o zgebal.o

#SMEAGOLPACKOBJ = zsytf2.o zsytrf.o zsytri.o

#SMEAGOLLAPACK = Smeagol_lapack

#$(SMEAGOLLAPACK) : $(SMEAGOLPACKOBJ)

# If you wish to use vendor specific lapack driver

# subroutines you should uncomment the following lines

#

#SMEAGOLLAPACK =

#SMEAGOLPACKOBJ=

# This is crude but will have to do for now.

# Note : precision must be the first module

#

MOD_OBJS=precision.o atom.o atmparams.o atmfuncs.o listsc.o \

memoryinfo.o numbvect.o parallel.o sorting.o \

atomlist.o ionew.o atm_types.o old_atmfuncs.o radial.o parsing.o\

alloc.o phonon.o spher_harm.o periodic_table.o version.o \

basis_types.o pseudopotential.o basis_specs.o sys.o basis_io.o\

chemical.o xml.o writewave.o

COM_OBJS=$(OBJS) $(SYSOBJ)

ALL_OBJS=$(MOD_OBJS) $(COM_OBJS)

#

arw.o: ionew.o

initatom.o: basis_specs.o basis_types.o basis_io.o

atom.o: basis_types.o

basis_specs.o: pseudopotential.o basis_types.o chemical.o

basis_types.o: pseudopotential.o atmparams.o

atom.o initatom.o transfer.o plcharge.o : old_atmfuncs.o

basis_types.o atom.o old_atmfuncs.o atmfuncs.o: atmparams.o

atomlwf.o dhscf.o dnaefs.o : atmfuncs.o

efield.o matel.o mulliken.o outcoor.o : atmfuncs.o

overfsm.o shaper.o : atmfuncs.o

atomlist.o : atmfuncs.o

kinefsm.o naefs.o nlefsm.o overfsm.o : atmfuncs.o

siesta.o : atmfuncs.o phonon.o ordern.o hsparse.o

redata.o : phonon.o

dfscf.o hsparse.o : atmfuncs.o listsc.o

rhoofd.o rhoofdsp.o vmat.o vmatsp.o vmattr.o : listsc.o

hsparse.o minvec.o : sorting.o

chempot.o : numbvect.o

memory.o : memoryinfo.o

dhscf.o dfscf.o forhar.o rhooda.o rhoofd.o rhoofdsp.o : meshsubs.o

vmat.o vmatsp.o vmattr.o vvbias.o: meshsubs.o

dfscf.o rhoofd.o rhoofdsp.o vmat.o vmatsp.o vmattr.o : meshmatrix.o

siesta.o: atomlist.o

old_atmfuncs.o atomlist.o siesta.o atom.o: ionew.o

coor.o: atomlist.o

radial.o: xml.o

atm_types.o: radial.o

transfer.o: atm_types.o atmfuncs.o radial.o periodic_table.o

atmfuncs.o: atm_types.o radial.o

old_atmfuncs.o atmfuncs.o matel.o: spher_harm.o

#

diag2g.o diag2k.o diagg.o diagk.o diagkp.o diagsprl.o ionew.o: sys.o

atmfuncs.o atom.o basis_specs.o: sys.o

chkdim.o coor.o diagpol.o matel.o old_atmfuncs.o periodic_table.o: sys.o

pdos.o: xml.o atmfuncs.o atomlist.o

propor.o spher_harm.o pseudopotential.o: sys.o

redata.o dhscf.o: sys.o

#----------------------------------------------------

matel.o basis_io.o atom.o : radfft.o

#

basis_io.o: ionew.o atm_types.o atmfuncs.o radial.o sys.o chemical.o\

basis_types.o xml.o

basis_io.o: $(FDF) $(NETCDF_INTERFACE)

siesta.o bands.o efield.o fixed.o grdsam.o writewave.o: parsing.o

initdm.o repol.o ksv.o: parsing.o

#

siesta.o atomlist.o coor.o dfscf.o matel.o: alloc.o

#

broadcast_basis.o: atm_types.o

atom.o basis_specs.o: periodic_table.o

#

$(COM_OBJS): precision.o parallel.o $(MPI_INTERFACE)

#

# Interfaces to libraries

#

libmpi_f90.a:

@(cd MPI ; $(MAKE) )

libnetcdf_f90.a:

@(cd NetCDF ; $(MAKE) )

#

# Libraries that might need to be compiled

#

linalg.a: Libs/blas.f Libs/lapack.f

@echo "==> Compiling linalg.a in Libs..."

@(cd Libs ; $(MAKE) linalg.a)

dc_lapack.a: Libs/dc_lapack.f

@echo "==> Compiling dc_lapack.a in Libs..."

@(cd Libs ; $(MAKE) dc_lapack.a)

#

version:

@echo

@echo "==> Information about compiler and flags"

sed "s/SIESTA_ARCH/${SIESTA_ARCH}/g" version.F90 > temp0.F90

# sed "s/FFLAGS/${FC} ${LDLAGS}/g" temp0.F > temp.F

sed "s/FFLAGS/ ${FLAGS}/g" temp0.F90 > temp.F90

$(FC) -c $(FFLAGS) $(DEFS) temp.F90

@rm -f temp0.F90 temp.F90

@mv temp.o version.o

@echo

siesta: version $(MPI_INTERFACE) $(NETCDF_INTERFACE) $(FDF) \

$(COMP_LIBS) $(ALL_OBJS) $(TRANSPORT) $(LINPACK) \

$(INTERFACE) $(SMEAGOLLAPACK)

$(FC) -o $(EXEC) \

$(LDFLAGS) $(ALL_OBJS) $(FDF) \

$(TRANSPORTOBJ) $(LINPACK) $(INTERFACEOBJ)\

$(MPI_INTERFACE) $(SMEAGOLPACKOBJ)\

$(NETCDF_INTERFACE) $(COMP_LIBS) $(LIBS)

#

GEN-BASIS_OBJS=gen-basis.o basis_types.o precision.o\

basis_io.o chemical.o transfer.o atm_types.o\

atmparams.o atmfuncs.o old_atmfuncs.o radial.o spher_harm.o io.o \

paste.o memoryinfo.o memory.o ionew.o \

chkdim.o basis_specs.o atom.o periodic_table.o\

pseudopotential.o dot.o xc.o recipes.o arw.o radfft.o\

bessph.o sys.o timer.o xml.o $(SYSOBJ)

# precision must be the first one here...

gen-basis.o: precision.o atom.o basis_types.o basis_specs.o basis_io.o $(FDF)

gen-basis: version $(NETCDF_INTERFACE) $(MPI_INTERFACE) $(FDF) \

$(COMP_LIBS) $(GEN-BASIS_OBJS)

$(FC) -o gen-basis \

$(LDFLAGS) $(GEN-BASIS_OBJS) $(MPI_INTERFACE) $(FDF) \

$(NETCDF_INTERFACE) $(COMP_LIBS) $(LIBS)

#

clean:

@echo "==> Cleaning object, library, and executable files"

rm -f siesta gen-basis *.o *.a *.pc *.pcl

rm -f *.mod

(cd fdf ; $(MAKE) clean)

@if [ -d MPI ] ; then (cd MPI && $(MAKE) clean ) ; fi

(cd NetCDF ; $(MAKE) clean )

(cd Libs ; $(MAKE) clean )

(cd ../doc/ ; rm -f *.ps *.aux *.log *.toc *.dvi)

pristine: clean

cp -fp Include/constr.f .

#

cleantransp:

rm -f $(TRANSPORTOBJ)

rm -f $(INTERFACEOBJ)

rm -f $(LINPACKOBJ) $(SMEAGOLPACKOBJ)

doc :

(cd ../doc/ ; latex smeagol.tex ; latex smeagol.tex; dvips -o smeagol_doc.ps smeagol.dvi)

#Makefile for siesta

#

.SUFFIXES: .f .F .o .a .f90 .F90

#

VPATH= ./ : ../NETransport/ : ../Interface : ../smeagolpac

--------------------------

arch.make

SIESTA_ARCH=intel-mkl

#

FC=ifort

FC_ASIS=$(FC)

FFLAGS= -w -mp -tpp5 -O3

LDFLAGS= -w -mp -tpp5 -O3

COMP_LIBS=

TRANSPORTFLAGS= -c $(FFLAGS)

SOURCE_DIR= ../

EXEC = smeagol

#NETCDF_LIBS=/usr/local/netcdf-3.5/lib/pgi/libnetcdf.a

#NETCDF_INTERFACE=libnetcdf_f90.a

#DEFS_CDF=-DCDF

# MPI_INTERFACE=libmpi_f90.a

# MPI_INCLUDE=/usr/support/mvapich-0.9.5--pathscale-2.2.1/include

# DEFS_MPI=-DMPI

# BLACS=/usr/support/acml2.5.0/gnu64/lib/libblacsCinit.a /usr/support/acml2.5.0/gnu64/lib/libblacsF77init.a /usr/support/acml2.5.0/gnu64/lib/libblacs.a

# LAPACK=/usr/support/acml2.5.0/gnu64/lib/libscalapack.a

# LIBS= -lpthread /usr/support/acml2.6.0/pathscale64/lib/libacml.a -llapack $(LAPACK) $(BLAS) $(BLACS)

GUIDE=/home/bias/ifc/lib/libguide.a

LAPACK=/usr/lib/lapack.a

BLAS=/usr/lib/libblas.so

LIBS=$(LAPACK) $(BLAS) $(GUIDE)

RANLIB=echo

SYS=nag

# DEFS= $(DEFS_CDF) # $(DEFS_MPI)

#

.F.o:

$(FC) -c $(FFLAGS) $(DEFS) $<

.f.o:

$(FC) -c $(FFLAGS) $<

.F90.o:

$(FC) -c $(FFLAGS) $(DEFS) $<

.f90.o:

$(FC) -c $(FFLAGS) $<

#SIESTA_ARCH=in

-------------------------------------------

Errors

------------------------------------------------

ifort -o smeagol \
-w -mp -tpp5 -O3 precision.o atom.o atmparams.o atmfuncs.o listsc.o memoryinfo.o numbvect.o parallel.o sorting.o atomlist.o ionew.o atm_types.o old_atmfuncs.o radial.o parsing.o alloc.o phonon.o spher_harm.o periodic_table.o version.o basis_types.o pseudopotential.o basis_specs.o sys.o basis_io.o chemical.o xml.o writewave.o arw.o atomlwf.o bands.o bessph.o cgwf.o chkdim.o chkgmx.o chempot.o coceri.o conjgr.o constr.o coxmol.o cross.o denmat.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 dynamics.o efield.o egandd.o ener3.o extrapol.o extrapolon.o fermid.o fixed.o forhar.o gradient.o grdsam.o hsparse.o idiag.o initatom.o initdm.o inver.o iodm.o iohs.o iolwf.o iorho.o ioxv.o ipack.o kgrid.o kgridinit.o kinefsm.o ksv.o ksvinit.o madelung.o matel.o meshmatrix.o memory.o meshsubs.o minvec.o mulliken.o naefs.o neighb.o nlefsm.o on_subs.o ordern.o outcell.o outcoor.o overfsm.o paste.o pdos.o pdosg.o pdosk.o phirphi.o pixmol.o plcharge.o timestamp.o propor.o pulayx.o ranger.o ran3.o recipes.o reclat.o redata.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 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 transfer.o broadcast_basis.o sig.o eggbox.o nag.o libfdf.a \
leads_complex.o negf.o identify.o diagonal_alex.o misc.o selfenergy.o gauleg.o transm.o invert.o decimate_leads.o gensvd.o rank.o negfk.o negf2g.o negf2k.o localdos.o gaucheb.o linpack.smeagol.a dmbk.o emt2g.o emt2k.o emtg.o emtk.o emtrans.o bulktrans.o vmattr.o vvbias.o hsleads.o hsl.o hslk.o reademtr.o pasbias.o shifth.o absdiff.o\
\
/usr/lib/lapack.a /usr/lib/libblas.so /home/bias/ifc/lib/libguide.a
inver.o: In function `inver_':
inver.f:(.text+0xd9): undefined reference to `dgetrf_'
inver.f:(.text+0x10a): undefined reference to `dgetri_'
cdiag.o: In function `cdiag_':
cdiag.F:(.text+0x4cf): undefined reference to `zhegvd_'
cdiag.F:(.text+0x814): undefined reference to `zhegv_'
rdiag.o: In function `rdiag_':
rdiag.F:(.text+0x302): undefined reference to `dsygvd_'
rdiag.F:(.text+0x515): undefined reference to `dsygv_'
siesta.o: In function `MAIN__':
siesta.F:(.text+0x41f1): undefined reference to `dlasrt_'
leads_complex.o: In function `leads_':
../NETransport/leads_complex.F:(.text+0x578): undefined reference to `zgetrf_'
../NETransport/leads_complex.F:(.text+0x5b3): undefined reference to `zgecon_'
../NETransport/leads_complex.F:(.text+0x6ac): undefined reference to `zgetri_'
../NETransport/leads_complex.F:(.text+0x719): undefined reference to `zgerfs_'
../NETransport/leads_complex.F:(.text+0x85d): undefined reference to `zgesvd_'
../NETransport/leads_complex.F:(.text+0xd29): undefined reference to `zgesvd_'
../NETransport/leads_complex.F:(.text+0x11f9): undefined reference to `zgeevx_'
../NETransport/leads_complex.F:(.text+0x200f): undefined reference to `zgetrf_'
../NETransport/leads_complex.F:(.text+0x204a): undefined reference to `zgecon_'
../NETransport/leads_complex.F:(.text+0x2129): undefined reference to `zgetri_'
../NETransport/leads_complex.F:(.text+0x2196): undefined reference to `zgerfs_'
../NETransport/leads_complex.F:(.text+0x22de): undefined reference to `zgesvd_'
../NETransport/leads_complex.F:(.text+0x26c0): undefined reference to `zgetrf_'
../NETransport/leads_complex.F:(.text+0x26fb): undefined reference to `zgecon_'
../NETransport/leads_complex.F:(.text+0x27da): undefined reference to `zgetri_'
../NETransport/leads_complex.F:(.text+0x2847): undefined reference to `zgerfs_'
../NETransport/leads_complex.F:(.text+0x2b35): undefined reference to `zgesvd_'
../NETransport/leads_complex.F:(.text+0x304c): undefined reference to `zgetrf_'
../NETransport/leads_complex.F:(.text+0x3087): undefined reference to `zgecon_'
../NETransport/leads_complex.F:(.text+0x3166): undefined reference to `zgetri_'
../NETransport/leads_complex.F:(.text+0x31d3): undefined reference to `zgerfs_'
../NETransport/leads_complex.F:(.text+0x32ad): undefined reference to `zgesvd_'
negf.o: In function `negf_':
../NETransport/negf.F:(.text+0x10db8): undefined reference to `zsytrf_'
../NETransport/negf.F:(.text+0x10dec): undefined reference to `zsytri_'
diagonal_alex.o: In function `diagonal_':
../NETransport/diagonal_alex.f:(.text+0x226): undefined reference to `zhegv_'
selfenergy.o: In function `selfenergy_.':
../NETransport/selfenergy.F:(.text+0x2c98): undefined reference to `zgetrf_'
../NETransport/selfenergy.F:(.text+0x2cce): undefined reference to `zgetri_'
../NETransport/selfenergy.F:(.text+0x2ddb): undefined reference to `zgetrf_'
../NETransport/selfenergy.F:(.text+0x2e11): undefined reference to `zgetri_'
../NETransport/selfenergy.F:(.text+0x3b46): undefined reference to `zgetrf_'
../NETransport/selfenergy.F:(.text+0x3b7e): undefined reference to `zgetri_'
../NETransport/selfenergy.F:(.text+0x4031): undefined reference to `zgetrf_'
../NETransport/selfenergy.F:(.text+0x4067): undefined reference to `zgetri_'
../NETransport/selfenergy.F:(.text+0x4174): undefined reference to `zgetrf_'
../NETransport/selfenergy.F:(.text+0x41aa): undefined reference to `zgetri_'
../NETransport/selfenergy.F:(.text+0x4e58): undefined reference to `zgetrf_'
../NETransport/selfenergy.F:(.text+0x4e90): undefined reference to `zgetri_'
transm.o: In function `transm_':
../NETransport/transm.F:(.text+0x161c): undefined reference to `zgetrf_'
../NETransport/transm.F:(.text+0x1657): undefined reference to `zgetri_'
../NETransport/transm.F:(.text+0x1701): undefined reference to `zgetrf_'
../NETransport/transm.F:(.text+0x173c): undefined reference to `zgetri_'
../NETransport/transm.F:(.text+0x19ef): undefined reference to `zgetrf_'
../NETransport/transm.F:(.text+0x1a2e): undefined reference to `zgetri_'
../NETransport/transm.F:(.text+0x22fa): undefined reference to `zgetrf_'
../NETransport/transm.F:(.text+0x236e): undefined reference to `zgetri_'
../NETransport/transm.F:(.text+0x5101): undefined reference to `zsytrf_'
../NETransport/transm.F:(.text+0x516a): undefined reference to `zsytri_'
invert.o: In function `invertiv_':
../NETransport/invert.f:(.text+0x6b4): undefined reference to `zsytrf_'
../NETransport/invert.f:(.text+0x6d7): undefined reference to `zsytri_'
../NETransport/invert.f:(.text+0x82b): undefined reference to `zsytrf_'
../NETransport/invert.f:(.text+0x84e): undefined reference to `zsytri_'
../NETransport/invert.f:(.text+0x9c5): undefined reference to `zsytrf_'
../NETransport/invert.f:(.text+0xa01): undefined reference to `zsytri_'
invert.o: In function `invert_':
../NETransport/invert.f:(.text+0x2180): undefined reference to `zsytrf_'
../NETransport/invert.f:(.text+0x21a6): undefined reference to `zsytri_'
../NETransport/invert.f:(.text+0x22b4): undefined reference to `zsytrf_'
../NETransport/invert.f:(.text+0x22da): undefined reference to `zsytri_'
../NETransport/invert.f:(.text+0x240b): undefined reference to `zsytrf_'
../NETransport/invert.f:(.text+0x2456): undefined reference to `zsytri_'
gensvd.o: In function `gensvd_':
../NETransport/gensvd.f:(.text+0x2d7): undefined reference to `zggsvp_'
rank.o: In function `rank_':
../NETransport/rank.F:(.text+0x218): undefined reference to `zgesvd_'
../NETransport/rank.F:(.text+0x37c): undefined reference to `zgesvd_'
negfk.o: In function `negfk_':
../NETransport/negfk.F:(.text+0x8511): undefined reference to `zgetrf_'
../NETransport/negfk.F:(.text+0x854c): undefined reference to `zgetri_'
../NETransport/negfk.F:(.text+0x9828): undefined reference to `zgetrf_'
../NETransport/negfk.F:(.text+0x9863): undefined reference to `zgetri_'
../NETransport/negfk.F:(.text+0xc7dd): undefined reference to `zgetrf_'
../NETransport/negfk.F:(.text+0xc818): undefined reference to `zgetri_'
negf2g.o: In function `negf2g_':
../NETransport/negf2g.f:(.text+0x3e16): undefined reference to `zgetrf_'
../NETransport/negf2g.f:(.text+0x3e51): undefined reference to `zgetri_'
../NETransport/negf2g.f:(.text+0x5f5b): undefined reference to `zgetrf_'
../NETransport/negf2g.f:(.text+0x5f96): undefined reference to `zgetri_'
../NETransport/negf2g.f:(.text+0xa3d3): undefined reference to `zgetrf_'
../NETransport/negf2g.f:(.text+0xa40e): undefined reference to `zgetri_'
negf2k.o: In function `negf2k_':
../NETransport/negf2k.F:(.text+0x7d04): undefined reference to `zgetrf_'
../NETransport/negf2k.F:(.text+0x7d3f): undefined reference to `zgetri_'
../NETransport/negf2k.F:(.text+0xc56f): undefined reference to `zgetrf_'
../NETransport/negf2k.F:(.text+0xc5aa): undefined reference to `zgetri_'
../NETransport/negf2k.F:(.text+0x125b4): undefined reference to `zgetrf_'
../NETransport/negf2k.F:(.text+0x125ef): undefined reference to `zgetri_'
localdos.o: In function `localdos_':
../NETransport/localdos.F:(.text+0xed4): undefined reference to `zsytrf_'
../NETransport/localdos.F:(.text+0xf03): undefined reference to `zsytri_'
../NETransport/localdos.F:(.text+0x32a2): undefined reference to `zgetrf_'
../NETransport/localdos.F:(.text+0x32dc): undefined reference to `zgetri_'
make: *** [siesta] Error 1

------------------------------------------

TimP · ‎11-09-2008

This package presumably has documentation for build and installation, which would be must reading, along with clues in the Makefile which you have ignored. It looks like there is an expectation that some version of MPI is installed (not Intel MPI), which you didn't mention. You would have to follow the instructions for that MPI on how to install to support ifort. You appear to have tried to link against the ACML version for one of the gnu compilers. It would not help to install that, as ACML has a separate version for ifort. The licensing for that is unusually restrictive; you should read that and the instructions which come with it, should you feel you can comply with the license. According to the errors you quote, it seems likely that the MKL library which comes with ifort Professional may work well as a substitute for ACML.

af123_af007 · ‎11-11-2008

I think you must link againstthe mkl or a other blas and lapack libaray.

For mkl you must use-lmkl -lmkl_intel -lmkl_core -lguide -lmkl_lapack.

TimP · ‎11-11-2008

Quoting - af123_af007

I think you must link againstthe mkl or a other blas and lapack libaray.

For mkl you must use-lmkl -lmkl_intel -lmkl_core -lguide -lmkl_lapack.

You might get by with that odd combination when using shared libraries, depending on specific versions. As the poster appears to want a degree of gnu compatibility, the libiomp might be more appropriate than libguide. The Makefile indicates use of .a libraries. There would be no good substitute for reading the documentation both of the application and of the libraries which apparently are required (BLAS, LAPACK, MPI, dislin, netcdf, ....)