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Subject: [OMPI users] WIEN2k compilation using openmpi
From: Sergio Yanuen Rodriguez (srodriguez_at_[hidden])
Date: 2008-08-05 16:52:54


Dear openmpi users:

I am trying to compile wien2k in parallel on a intel core quad processor
with fedora 8 and 8 GB in RAM but I am getting some errors. I am able to
install and run the serial version.

My software is:

Kernel version 2.6.25
gcc version 4.1.2
Intel Fortran compiler 10.1.015
Intel MKL 10.0.1.014
OpenMPI 1.2.4
WIEN2k_08.2

The compilation options are:
Serial Current settings:
 O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -O3 -xW
 L Linker Flags: $(FOPT) -L/opt/intel/mkl/10.0.1.014/lib/em64t
-lpthread
 P Preprocessor flags '-DParallel'
 R R_LIB (LAPACK+BLAS): -L/opt/intel/mkl/10.0.1.014/lib/em64t
-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lguide -lpthread

Parallel Current settings:
     RP RP_LIB(SCALAPACK+PBLAS): -L /opt/intel/mkl/10.0.1.014/lib/em64t
-lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64
-lmkl_sequential -lmkl_core -L/usr/local/lib -lmpi
     FP FPOPT(par.comp.options): -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback -I /opt/intel/linux86_64/include
     MP MPIRUN commando : mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_

The errors I am getting are in the zip file attached, together with the
openmpi compilation files.

Any help is greatly appreciated

Thank you

Sergio Y. Rodriguez
Physics Department
Texas A&M University