Problem Installing siesta

[tabz_rulz]

Hi,

I am trying to install a software Siesta on a Dell cluster with Intel Xeon processors. We have an Intel Fortran compiler Ifort installed. The error I am getting is :

/opt/intel/mkl/8.0/lib/32/libmkl_lapack95.a /opt/intel/mkl/8.0/lib/32/libmkl_blas95.a /opt/intel/mkl/8.0/lib/32/libguide.a -lpthread
IPO Error: unresolved : dgetrf_
Referenced in inver.o
IPO Error: unresolved : dgetri_
Referenced in inver.o
IPO Error: unresolved : zscal_
Referenced in linpack.o
IPO Error: unresolved : zaxpy_
Referenced in linpack.o
IPO Error: unresolved : zswap_
Referenced in linpack.o
IPO Error: unresolved : zhegvd_
Referenced in cdiag.o
IPO Error: unresolved : zhegv_
Referenced in cdiag.o
IPO Error: unresolved : dsygvd_
Referenced in rdiag.o
IPO Error: unresolved : dsygv_
Referenced in rdiag.o
inver.o(.text+0xdd): In function `inver_':
: undefined reference to `dgetrf_'
inver.o(.text+0x110): In function `inver_':
: undefined reference to `dgetri_'
linpack.o(.text+0x173): In function `zgedi_':
: undefined reference to `zscal_'
linpack.o(.text+0x22f): In function `zgedi_':
: undefined reference to `zaxpy_'
linpack.o(.text+0x3f0): In function `zgedi_':
: undefined reference to `zaxpy_'
linpack.o(.text+0x458): In function `zgedi_':
: undefined reference to `zswap_'
linpack.o(.text+0xc4f): In function `zgefa_':
: undefined reference to `zscal_'
linpack.o(.text+0xd71): In function `zgefa_':
: undefined reference to `zaxpy_'
cdiag.o(.text+0x4ab): In function `cdiag_':
: undefined reference to `zhegvd_'
cdiag.o(.text+0x7ae): In function `cdiag_':
: undefined reference to `zhegv_'
rdiag.o(.text+0x2e7): In function `rdiag_':
: undefined reference to `dsygvd_'
rdiag.o(.text+0x4f2): In function `rdiag_':
: undefined reference to `dsygv_'
make: *** [siesta] Error 1

The make file for this software is a s follows:

SIESTA_ARCH=intel-mkl
#
# GNU fortran compiler for linux with mkl optimized blas and lapack
#
# Be sure to experiment with different optimization options.
# You have quite a number of combinations to try...
#
FC= ifort
#
FFLAGS=-w -mp -tpp5 -O3
FFLAGS_DEBUG= -g
LDFLAGS=-Vaxlib
COMP_LIBS=
RANLIB=echo
#
NETCDF_LIBS=
NETCDF_INTERFACE=
DEFS_CDF=
#
MPI_INTERFACE=
MPI_INCLUDE=
DEFS_MPI=

GUIDE=/opt/intel/mkl/8.0/lib/32/libguide.a
LAPACK=/opt/intel/mkl/8.0/lib/32/libmkl_lapack95.a
BLAS=/opt/intel/mkl/8.0/lib/32/libmkl_blas95.a
#G2C=/usr/lib/gcc-lib/i386-redhat-linux/2.96/libg2c.a
#LIBS=$(LAPACK) $(BLAS) $(G2C) $(GUIDE) -lpthread
LIBS=$(LAPACK) $(BLAS) $(GUIDE) -lpthread
SYS=bsd
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) $<
#

Does anyone has any clue whats wrong ?

[Chao_Y_Intel]

Hi,

For the linking error, it seems that you are not using MKL Fortran 95 interface. Could you try to link the follow Intel MKL libraries instead:

/opt/intel/mkl/8.0/lib/32/libmkl_lapack.a /opt/intel/mkl/8.0/lib/32/libmkl_ia32.a /opt/intel/mkl/8.0/lib/32/libguide.a -lpthread