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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111124/dbdb7054/attachment.htm