The ABINIT Users Mailing List ( CLOSED )

[Chol-Jun Yu <yucj@ghi.rwth-aachen.de>]

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
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