A strange problem about --blas and --lapack in setup script

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Posts: 74
Joined: 11 Nov 2013, 00:36
First name(s): Youzhao
Last name(s): Lan
Affiliation: Institute of Physical Chemistry
Country: China

A strange problem about --blas and --lapack in setup script

Post by lyzhao » 14 May 2017, 05:23

Dear all,
I use the following setup to install dalton 2016.2 by using the GNU gcc version 4.8.2
./setup build4DFTLAPACK --mpi

Everything is fine during the compilation.
But at the "link" step, I get the following error:
[ 4%] Built target pelib
Scanning dependencies of target dalton
[ 4%] Building Fortran object CMakeFiles/dalton.dir/binary_info.F90.o
Linking Fortran static library lib/libdalton.a
[100%] Built target dalton
Linking Fortran executable dalton.x
/home/lyzgnu/soft/lapack/lapack-3.5.0/liblapack.a(dgeev.o): In function `dgeev_':
dgeev.f:(.text+0x10a2): undefined reference to `drot_'
dgeev.f:(.text+0x14e2): undefined reference to `drot_'
.........many similar errors are not shown for clarity...................

My question: the "drot_" is definitely included in librefblas.a, why cannot liblapack.a find it.

HOWEVER, if setup is set to:
./setup build4DFTLAPACK --mpi
The linking step works fine.

My system environment is
CentOS 7.0
gcc version 4.8.2 20140120
lapack-3.5.0 compiled using gcc version 4.8.2
openmpi-1.4.3 compiled using gcc version 4.8.2

NOTEs: if I use Intel Version 12.0.4 compiler for all, dalton can be compiled and linked normally by using the following setup.
./setup build4DFTLAPACK --fc=mpif90 --cc=mpicc --cxx=mpicxx --mpi --mkl=parallel
--blas /home/lyzhao/soft/lapack/lapack-3.5.0/intel/librefblas.a
--lapack /home/lyzhao/soft/lapack/lapack-3.5.0/intel/liblapack.a

Best regards.
Youzhao Lan

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