[OMPI users] WIEN2k compilation using openmpi

[Sergio Yanuen Rodriguez]

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

[R.C.Pasianot]

Hi Sergio

Have you tried running anything like "hello world" first ?.
Your output suggests you didn't ... :/

Best,

Roberto

Post by Sergio Yanuen Rodriguez
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.
....

[Jeff Squyres]

I don't know anything about wien2k, but I do notice that the link line
of your output doesn't used mpif77 or mpif90. Is there a reason for
that? Indeed, I see the following in the link line:

... -L/usr/local/lib -lmpi

But you clearly installed Open MPI to /opt/intel/linux86_64. So that
doesn't seem right.

mpif77 and mpif90 add in all the support libraries and compiler/linker
flags that Open MPI needs. In general, the OMPI team recommends using
the wrapper compilers (mpif77 and mpi90) wherever possible; they can
greatly reduce your logistics in trying to get MPI apps to compile and
link successfully.

Post by Sergio Yanuen Rodriguez
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.
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
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
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
<ompi-output.tar.gz>_______________________________________________
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