[Wien] problem with compiling mpi executable

[Nandan Tandon]

Dear All,

I am trying to install Wien2K on our new cluster. I am able to install
and run the serial and and the k-point parallel version, but getting
error while compilation of the MPI version.

My software and hardware configuration is as below:

Hardware:

2 * Dell 1950 ( Intel Dual Quad core, 8GB  of RAM, 73 * 2 HDD)

1 * Dell MD1000 Storage box with 1.2 TB of Space.

Software:

OS:   RHEL 4U5 ES

Kernel version: 2.6.9-55.ELsmp

Compiler:  Intel compiler 10.1.015 ( C and FORTRAN), Intel MKL 10.0.14

MPI communication: OpenMPI-1.2.6

WIEN2K version: WIEN2k_08.2 (Release 21/4/2008)

The /etc/bashrc  is configured as below:

PATH=/apps/intel/cce/10.1.015/bin:/apps/intel/fce/10.1.015/bin:$PATH

LD_LIBRARY_PATH=/apps/intel/mkl/10.0.1.014/lib/em64t:/apps/intel/cce/10.1.015/lib:/apps/intel/fce/10.1.015/lib

LD_INCLUDE_PATH=/apps/intel/cce/10.1.015/include:/apps/intel/fce/10.1.015/include:/apps/intel/mkl/10.0.1.014/include:/usr/include/octave-2.1.57/octave/

export PATH

export LD_LIBRARY_PATH

export LD_INCLUDE_PATH

The compilation OPTIONS are as follows:
current:FOPT:-FR -O2
current:FPOPT:-FR
current:LDFLAGS:-L/apps/intel/mkl/10.0.1.014/lib/em64t -lpthread
current:DPARALLEL:'-DParallel'
current:R_LIBS:-lmkl_lapack -lmkl_core -lmkl_em64t -lguide -pthread
current:RP_LIBS:-L /apps/intel/mkl/10.0.1.014/lib/em64t/
-lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64
-lmkl_sequential -lmpi_f90
current:MPIRUN:

The HOME directory is shared from the master machine and the
authentication mechanism is NIS, the login mechanism between the
machines is SSH ( which is configured as Password-less for users).

I have gone through the document for installation in parallel mode and
done all the things that are required. I am getting the following
error while installing the software:
The mpi executables for lapw0_mpi and lapw2_mpi are created but
lapw1_mpi gives some
erros

The error message in the compile.msg file in lapw1 are as follows:

/apps/intel/fce/10.1.015/lib/libimf.so: warning: warning: feupdateenv
is not implemented and will always fail
modules.o(.text+0x5334): In function `matrices_mp_init_matrices_':
: undefined reference to `blacs_gridinfo_'
modules.o(.text+0x5393): In function `matrices_mp_init_matrices_':
: undefined reference to `blacs_gridinfo_'
modules.o(.text+0x663a): In function `parallel_mp_init_parallelmatrices_':
: undefined reference to `blacs_gridinfo_'
modules.o(.text+0x669a): In function `parallel_mp_init_parallelmatrices_':
: undefined reference to `blacs_gridinfo_'
pzheevx16.o(.text+0x87): In function `pzheevx16_':
: undefined reference to `blacs_gridinfo_'
pzheevx16.o(.text+0x986): In function `pzheevx16_':
: undefined reference to `dgebs2d_'

There are more erros of the same kind. I can send the compile.msg file
if required.

Any help is appreciated.
--
Thanks and regards,

Nandan.