[Pw_forum] compilation problem on PC with Intel compiler

[xhongjun]

Andriy H. Nevidomskyy wrote:
> Dear users of PWSCF,
> 
> The compilation of PW-code fails on the PC-mashine when using Intel ifc
> compiler and Intel MKL library.
> It fails at the linking stage and produces the following log:
> (sorry for this long e-mail)
> 
> cft_3.o: In function `cft_3_':
> cft_3.o(.text+0xe4): undefined reference to `fftw3d_f77_create_plan_'
> cft_3.o(.text+0x10c): undefined reference to `fftwnd_f77_one_'
> cft_fftw.o: In function `cft_1_':
> cft_fftw.o(.text+0x5a): undefined reference to `fftw_f77_create_plan_'
> cft_fftw.o(.text+0x7d): undefined reference to `fftw_f77_'
> cft_fftw.o: In function `cft_1s_':
> cft_fftw.o(.text+0x163): undefined reference to `fftw_f77_create_plan_'
> cft_fftw.o(.text+0x182): undefined reference to `fftw_f77_'
> cft_fftw.o: In function `cft_2_':
> cft_fftw.o(.text+0x2f3): undefined reference to `fftw_f77_create_plan_'
> cft_fftw.o(.text+0x32b): undefined reference to `fftw_f77_'
> cft_fftw.o(.text+0x354): undefined reference to `fftw_f77_create_plan_'
> cft_fftw.o(.text+0x3bd): undefined reference to `fftw_f77_'
> cft_fftw.o(.text+0x45a): undefined reference to `fftw_f77_create_plan_'
> cft_fftw.o(.text+0x4c2): undefined reference to `fftw_f77_'
> cft_fftw.o(.text+0x4ff): undefined reference to `fftw_f77_create_plan_'
> cft_fftw.o(.text+0x537): undefined reference to `fftw_f77_'
> cft_fftw.o: In function `cft_2s_':
> cft_fftw.o(.text+0x6cb): undefined reference to `fftw_f77_create_plan_'
> cft_fftw.o(.text+0x702): undefined reference to `fftw_f77_'
> cft_fftw.o(.text+0x72b): undefined reference to `fftw_f77_create_plan_'
> cft_fftw.o(.text+0x795): undefined reference to `fftw_f77_'
> cft_fftw.o(.text+0x82d): undefined reference to `fftw_f77_create_plan_'
> cft_fftw.o(.text+0x8a3): undefined reference to `fftw_f77_'
> cft_fftw.o(.text+0x8e0): undefined reference to `fftw_f77_create_plan_'
> cft_fftw.o(.text+0x917): undefined reference to `fftw_f77_'
> make[1]: *** [all] Error 1
> make[1]: Leaving directory `/temp/ahn22/PWSCF/PW'
> make: *** [pw] Error 2
> 
> Apparantly this has something to do with the -D option of the compiler,
> where macroses are defined. However I didn't succeed to compile it
> successfully.
> Could anyone help me to resolve this problem, please?
> 
> I attached to this e-mail the make.sys file that I was using for
> compilation.
> 
> Best regards,
> Andriy
> .------------------------------------------------------------------.
> |                        Mr Andriy H. Nevidomskyy                  |
> |                                                                  |
> |     TCM Group, Cavendish Laboratory, University of Cambridge     |
> |          Madingley Road, Cambridge CB3 0HE United Kingdom        |
> | Tel:+44-1223-337433,Fax:+44-1223-337356, E-mail: ahn22 at cam.ac.uk |
> `------------------------------------------------------------------'
> 
> 
> 
> 
> ------------------------------------------------------------------------
> 
> OSHOME=/temp/ahn22/PWSCF
> #
> # System-dependent Make definitions for Linux, Intel compiler (v.5-6)
> # Edit according to your needs
> #
> # add -DMKL if using the Intel Mathematical Kernel Library
> # Add -DADD_BLAS_ONE_UNDERSCORE if your blas/lapack library names contain 
> # two underscores at the end
> # Define FFTW library names with one underscore less than they have in
> # the library (one underscore is added by the compiler)
> #
> CPPFLAGS = -I$(OSHOME)/include/ -DPC -DMKL -DFFTW  \
>            -D"FFTWND_F77_ONE=fftwnd_f77_one" \
>            -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" \
>            -D"FFTW_F77=fftw_f77" \
>            -D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan"
> 
> # Fortran compiler:
> #
> F90 = ifc
> #
> # fortran options:
> # -Vaxlib         enables the use of portability libraries (getarg
> #                 and maybe other library calls)
> # -W0             disable warnings
> # -O3             more aggressive optimization
> # -tpp5           Pentium    optimization
> # -tpp6           Pentium Pro, 2, 3  optimization
> # -tpp7           Pentium 4  optimization
> #
> FFLAGS =-Vaxlib -O2 -tpp6
> 
> F90FLAGS= $(FFLAGS) -fpp $(CPPFLAGS)
> #
> # This is needed to tell the compiler where modules are
> # use this for version < 7
> # MODULEFLAG= -cl,./intel.pcl
> # use this for version = 7
> #MODULEFLAG= -nomodule -I$(OSHOME)/Modules -I$(OSHOME)/PW -I$(OSHOME)/PH
> #MODULEFLAG= -nomodule  -I$(OSHOME)/Modules -I$(OSHOME)/PW -I$(OSHOME)/PH
> MODULEFLAG= -cl,./intel.pcl
> 
> #
> # Loader:
> #
> # The following is for Intel MKL libraries v. 5.1 on Pentium-4
> # (remember -DMKL in CPPFLAGS !)
> # For MKL v. 5.2, add "-lguide"
> # Use libmkl_p3 for Pentium-3, libmkl_p4.a for Pentium-4 machines 
> # (MKL will likely not work for other CPUs like Athlon)
> #
> 
> #LIBS= -lfftw /opt/intel/mkl/lib/32/libmkl_lapack.a \
> #      /opt/intel/mkl/lib/32/libmkl_p4.a -lpthread
> 
> LIBS=  -lmkl_p3 -lmkl_lapack -lmkl_p3 -lguide -lpthread
If you have libfftw.a , please add -lfftw to LIBS.
Good luck.
> #
> # The following is for Atlas optimized blas/lapack libraries
> # You may not actually need -lcblas . See the manual for details
> # on how to fix I/O incompatibility problems with ifc
> #
> # LIBS = -lfftw -L$(HOME)/Linux_ATHLON256/ -llapack -lf77blas -lcblas -latlas
> #
> LD=$(F90)
> LFLAGS = -Vaxlib $(LIBS)
> 
> #
> # ar:
> #
> AR = ar
> ARFLAGS = ruv