[Pw_forum] compilation problem

DONG Rui rdong at ncsu.edu
Fri Nov 25 03:31:46 CET 2011


Hi all

I was compiling espresso on a Redhat machine, with PBS and mpi-intel
library,

it seems I can't use the flag "*--disable-shared*", once I do so,  I got
the following in make.sys
*DFLAGS         =  -D__INTEL -D__FFTW3*
there is no "-D__MPI -D__PARA", and if I add these two by hand in make.sys,
it complained with error.

If I did simply "./configure" in espresso top directory, then change the
BLAS/LAPACK library to internal by hand,
I got the following error in running.(compilation is successful.)

*/home/***/pw.x: symbol lookup error:
/opt/openmpi/1.4.3/intel/lib/libopen-pal.so.0: undefined symbol:
__intel_sse2_strcpy
/home/***/pw.x: symbol lookup error:
/opt/openmpi/1.4.3/intel/lib/libopen-pal.so.0: undefined symbol:
__intel_sse2_strcpy
/home/***/pw.x: symbol lookup error:
/opt/openmpi/1.4.3/intel/lib/libopen-pal.so.0: undefined symbol:
__intel_sse2_strcpy
/home/***/pw.x: symbol lookup error:
/opt/openmpi/1.4.3/intel/lib/libopen-pal.so.0: undefined symbol:
__intel_sse2_strcpy*

and I think I already source all the necessary lib in the batch script like
the below:

#PBS -l nodes=1:ppn=4
#PBS -l walltime=00:01:00
source /opt/intel/Compiler/11.1/072/bin/ifortvars.sh intel64
source /opt/intel/fce/10.1.012/bin/ifortvars.sh
source /opt/intel/cce/10.1.012/bin/iccvars.sh
#source /opt/openmpi/1.4.3/intel/bin/
export
LD_LIBRARY_PATH=/opt/intel/Compiler/11.1/072/mkl/lib/em64t:/opt/openmpi/1.4.3/intel/lib:/opt/intel/fce/10.1.012/lib:/opt/pbs/lib64

Does anyone have any idea of what is going on here?

Thank you all for reading this!

-- 
Sincerely,

Rui DONG
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