<br><div class="gmail_quote">Hi Prof Blaha and Wien2k users,<br><br>I am trying to install Wien2k 11.1 with the following OPTIONS:<br><br>current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback<br>current:FPOPT:$(FOPT)<br>
current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread<br>
current:DPARALLEL:'-DParallel'<br>current:R_LIBS:-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread<br>current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64 -L/PATH-TO-FFTW3/lib/ -lfftw3_mpi -lfftw3 $(R_LIBS)<br>
current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_<br><br>LAPW1 and 2 has been installed without any error but I have got the following errors in LAPW0 for parallel installation:<br><br>fftw_para.o: In function `exec_fftw_para_':<br>
fftw_para.F:(.text+0x77): undefined reference to `fftwnd_f77_mpi_'<br>fftw_para.F:(.text+0xb2): undefined reference to `fftwnd_f77_mpi_'<br>fftw_para.o: In function `init_fftw_para_':<br>fftw_para.F:(.text+0x105): undefined reference to `fftw3d_f77_mpi_create_plan_'<br>
fftw_para.F:(.text+0x12f): undefined reference to `fftw3d_f77_mpi_create_plan_'<br>fftw_para.F:(.text+0x157): undefined reference to `fftwnd_f77_mpi_local_sizes_'<br>make[1]: *** [lapw0_mpi] Error 1<br>make[1]: Leaving directory `/PATH-TO-WIEN2K11/Wien2k_11.1/SRC_lapw0'<br>
make: *** [para] Error 2<br><br>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".<br>
Does anyone know what are these errors and how to solve them?<br><br>Regards<br>Reza<font color="#888888"><br></font><span class="HOEnZb"><font color="#888888">
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