The ABINIT Users Mailing List ( CLOSED )

["Anglade Pierre-Matthieu" <anglade@gmail.com>]

Hi,
Did you check if the blas coming with the "old" lapack 3.1.1 is
compatible with lapack95 ?

On 4/13/07, Chol-Jun Yu <yucj@ghi.rwth-aachen.de> wrote:
> Hello,
>
> some days ago I compiled lapack-3.1.1 in my computer machine by the use of
> g95, so I obtained lapack_LINUX.a, blas_LINUX.a and tmglib_LINUX.a. However I
> found that these libraries are not the same to the atompaw. Therefore, at
> present I downloaded the LAPACK95 package from Internet and after some
> necessary operatios for makefile I also compiled it. Here I can get
> lapack95.a, which is proper for atompaw. By the way I can't get blas95.a, so
> I failed again to compile atompaw.
>
> Here some messages are shown;
>
> g95 -g -c anderson_realmix.f90
> g95 -g -c atomdata.f90
> g95 -g -c globalmath.f90
> g95 -g -c gridmod.f90
> g95 -g -c excor.f90
> g95 -g -c calcpotential.f90
> g95 -g -c radialsch.f90
> g95 -g -c radialsr.f90
> g95 -g -c aeatom.f90
> g95 -g -c pseudo.f90
> g95 -g -c basis.f90
> g95 -g -c atompaw.f90
> g95 -g -o atompaw aeatom.o anderson_realmix.o atomdata.o \
>   atompaw.o basis.o calcpotential.o \
>   excor.o globalmath.o \
>   gridmod.o pseudo.o radialsch.o
> radialsr.o /home/yucj/ABINIT/paw/lapack-3.1.1/lapack95.a 
> /home/yucj/ABINIT/paw/lapack-3.1.1/blas_LINU.a
> -L/home/CommPackages/g95-install/lib/gcc-lib/i686-pc-linux-gnu/4.0.0/
> anderson_realmix.o(.text+0x1884): In function
> `anderson_realmix_MP_anderson_mix__':
> /home/yucj/ABINIT/paw/atompaw/atompawwabinit/atompaw/anderson_realmix.f90:110:
> undefined reference to `dgesdd_'
> basis.o(.text+0x668b): In function `basis_MP_diagonalizer_':
> /home/yucj/ABINIT/paw/atompaw/atompawwabinit/atompaw/basis.f90:2291: undefined
> reference to `dsyev_'
> basis.o(.text+0x71df):/home/yucj/ABINIT/paw/atompaw/atompawwabinit/atompaw/basis.f90:2331:
> undefined reference to `dsyev_'
> make: *** [atompaw] Error 1
>
> And make.in is as follows;
>
> LIBS =/home/yucj/ABINIT/paw/lapack-3.1.1/lapack95.a \
> /home/yucj/ABINIT/paw/lapack-3.1.1/blas_LINU.a \
> -L/home/CommPackages/g95-install/lib/gcc-lib/i686-pc-linux-gnu/4.0.0/
>
> F90 = g95
> F90FLAGS = -g
> LDFLAGS = $(F90FLAGS)
>
> I think it is necessary to find the BLAS95 package. If Rausch want to get it,
> I can give you individualy. It is not possible to attach it because of its
> much storage.
>
> Best regards,
>
> Yu.
>
> --
> Yu Chol Jun
> -----------------------------------------------------------------------------
> Computational Materials Engineering(CME)
> Center for Computational Engineering Science(CCES)
> Institute of Mineral Engineering(GHI), RWTH Aachen
> Mauerstrasse 5, D-52064 Aachen, Germany
> Tel: ++49 241 80 94969
> Fax: ++49 241 80 92271
> e-mail: yucj@ghi.rwth-aachen.de
> -----------------------------------------------------------------------------


--
Pierre-Matthieu Anglade