[Wien] parallel installation problem in LAPW0

Reza Mahani kh.mahani at gmail.com
Mon Sep 24 13:45:39 CEST 2012


Hi Prof Blaha and Wien2k users,

I am trying to install Wien2k 11.1 with the following OPTIONS:

current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback
current:FPOPT:$(FOPT)
current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread
current:DPARALLEL:'-DParallel'
current:R_LIBS:-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread
-lmkl_core -openmp -lpthread
current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64
-L/PATH-TO-FFTW3/lib/ -lfftw3_mpi -lfftw3 $(R_LIBS)
current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_

LAPW1 and 2 has been installed without any error but I have got the
following errors in LAPW0 for parallel installation:

fftw_para.o: In function `exec_fftw_para_':
fftw_para.F:(.text+0x77): undefined reference to `fftwnd_f77_mpi_'
fftw_para.F:(.text+0xb2): undefined reference to `fftwnd_f77_mpi_'
fftw_para.o: In function `init_fftw_para_':
fftw_para.F:(.text+0x105): undefined reference to
`fftw3d_f77_mpi_create_plan_'
fftw_para.F:(.text+0x12f): undefined reference to
`fftw3d_f77_mpi_create_plan_'
fftw_para.F:(.text+0x157): undefined reference to
`fftwnd_f77_mpi_local_sizes_'
make[1]: *** [lapw0_mpi] Error 1
make[1]: Leaving directory `/PATH-TO-WIEN2K11/Wien2k_11.1/SRC_lapw0'
make: *** [para] Error 2

I have used "./configure CC=icc FC=ifort F77=ifort
--prefix=/PATH-TO-FFTW3/FFTW3 --enable-mpi" in order to configure the
fftw-3.3.2 and then "make" and "make install".
Does anyone know what are these errors and how to solve them?

Regards
Reza
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