[Wien] Wien2k parallel installation

Kondaiah Samudrala konda.physics at gmail.com
Sun Jul 1 21:49:58 CEST 2012


Dear all,

I* am trying to install wien2k (11.0) in complete parallel. In the
installation process , i am using

compiler :ifort
c-compiler :icc
MPI compiler : mpiifort and the LAPACK and blacs settings are
*
*compiler options, BLAS and LAPACK*
 O   Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -align
-DINTEL_VML -traceback -i8
-I/opt/intel/Compiler/11.1/038/mkl/include/em64t/ilp64
-I/opt/intel/Compiler/11.1/038/mkl/include
 L   Linker Flags:            $(FOPT)
-L/opt/intel/Compiler/11.1/038/mkl/lib/em64t -lguide -pthread
 P   Preprocessor flags       '-DParallel'
 R   R_LIB (LAPACK+BLAS):     -L/opt/intel/Compiler/11.1/046/mkl/lib/em64t
-lmkl_lapack -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lguide -pthread

*configure Parallel execution*
     RP  RP_LIB(SCALAPACK+PBLAS):
-L/opt/intel/Compiler/11.1/038/mkl/lib/em64t
/opt/intel/Compiler/11.1/038/mkl/lib/em64t/libmkl_blas95_ilp64.a
/opt/intel/Compiler/11.1/038/mkl/lib/em64t/libmkl_lapack95_ilp64.a
-lmkl_scalapack_ilp64 -lmkl_cdft_core -lmkl_intel_ilp64 -lmkl_intel_thread
-lmkl_core -lmkl_blacs_intelmpi_ilp64 -openmp -lpthread -lm
-L/home/gvacrc/fftw/fftw-2.1.5/fftw/.libs -lfftw
-L/home/gvacrc/fftw/fftw-2.1.5/mpi/.libs -lfftw_mpi -lrfftw_mpi
-L/home/gvacrc/fftw/fftw-2.1.5/threads/.libs -lfftw_threads -lrfftw_threads
     FP  FPOPT(par.comp.options): $(FOPT) -I/opt/intel/impi/
3.2.1.009/include64
     MP  MPIRUN commando        : mpirun -np _NP_ -machinefile _HOSTS_
_EXEC_


*while installing i got below error*

/home/gvacrc/fftw/fftw-2.1.5/mpi/.libs/libfftw_mpi.a(fftw_f77_mpi.o): In
function `fftwnd_f77_mpi_create_plan_':
fftw_f77_mpi.c:(.text+0xfd): undefined reference to `fftw_reverse_int_array'
fftw_f77_mpi.c:(.text+0x146): undefined reference to
`fftw_reverse_int_array'
/home/gvacrc/fftw/fftw-2.1.5/mpi/.libs/libfftw_mpi.a(fftwnd_mpi.o): In
function `fftwnd_mpi':
fftwnd_mpi.c:(.text+0x9b): undefined reference to `fftwnd'
fftwnd_mpi.c:(.text+0x147): undefined reference to `fftw'
fftwnd_mpi.c:(.text+0x1c4): undefined reference to `fftwnd'
fftwnd_mpi.c:(.text+0x1fc): undefined reference to `fftw'
/home/gvacrc/fftw/fftw-2.1.5/mpi/.libs/libfftw_mpi.a(fftwnd_mpi.o): In
function `fftwnd_mpi_destroy_plan':
fftwnd_mpi.c:(.text+0x320): undefined reference to `fftwnd_destroy_plan'
/home/gvacrc/fftw/fftw-2.1.5/mpi/.libs/libfftw_mpi.a(fftwnd_mpi.o): In
function `fftwnd_mpi_create_plan':
fftwnd_mpi.c:(.text+0x3dd): undefined reference to `fftw_create_plan'
fftwnd_mpi.c:(.text+0x3f4): undefined reference to `fftwnd_create_plan'
/home/gvacrc/fftw/fftw-2.1.5/mpi/.libs/libfftw_mpi.a(fftw_mpi.o): In
function `fftw_mpi':
fftw_mpi.c:(.text+0x2da): undefined reference to `fftw'
fftw_mpi.c:(.text+0x378): undefined reference to `fftw'
fftw_mpi.c:(.text+0x418): undefined reference to `fftw'
fftw_mpi.c:(.text+0x4ab): undefined reference to `fftw'
fftw_mpi.c:(.text+0x52c): undefined reference to `fftw'
/home/gvacrc/fftw/fftw-2.1.5/mpi/.libs/libfftw_mpi.a(fftw_mpi.o):fftw_mpi.c:(.text+0x585):
more undefined references to `fftw' follow
/home/gvacrc/fftw/fftw-2.1.5/mpi/.libs/libfftw_mpi.a(fftw_mpi.o): In
function `fftw_mpi_create_plan':
fftw_mpi.c:(.text+0xac4): undefined reference to `fftw_create_plan'
fftw_mpi.c:(.text+0xad4): undefined reference to `fftw_create_plan'
make[1]: *** [lapw0_mpi] Error 1
make[1]: Leaving directory `/home/gvacrc/Wien2k/SRC_lapw0'
make: *** [para] Error 2

Pls help in this problem

thanks in advance

with regards
S.Appalakondaiah
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