[Pw_forum] Re: Problem with examples

[stewart at cnf.cornell.edu]

Hi Cesar, 

   That looks almost identical to the one that I am using to compile things. 
The only difference is that I am using the external fftw library for the FFT 
routines.  This could be the difference since I believe your crash was in 
some fft calls.  Try downloading the fftw library, compile it with the intel 
compiler, and link it in.  It should be a little faster anyway :). 

Regards, 

Derek 

 

Cesar Alberto Cab Cauich writes: 

> 
> Thank you very much for your help, Derek, here is my make.sys: 
> 
> 
> # make.sys.  Generated from make.sys.in by configure. 
> 
> # compilation rules 
> 
> .SUFFIXES :
> .SUFFIXES : .o .c .f .f90 
> 
> .f90.o:
>         $(MPIF90) $(F90FLAGS) -c $< 
> 
> .f.o:
>         $(F77) $(FFLAGS) -c $< 
> 
> .c.o:
>         $(CC) $(CFLAGS) -c $< 
> 
> 
> CC             = icc
> MPICC          = icc
> CFLAGS         = -O3 $(DFLAGS) $(IFLAGS)
> CPP            = icc -E
> CPPFLAGS       =  $(DFLAGS) $(IFLAGS)
> F90            = ifort
> MPIF90         = ifort
> F90FLAGS       = $(FFLAGS) -nomodule -fpp $(FDFLAGS) $(IFLAGS) $(MODFLAGS)
> F90FLAGS_NOOPT = $(FFLAGS_NOOPT) -nomodule -fpp $(FDFLAGS) $(IFLAGS)$(MODFLAGS)
> F77            = ifort
> MPIF77         = ifort
> FFLAGS         = -O2 -tpp6 -assume byterecl
> FFLAGS_NOOPT   = -O0 -assume byterecl
> LD             = ifort
> LDFLAGS        =
> AR             = ar
> ARFLAGS        = ruv
> RANLIB         = echo
> BLAS_LIBS      = -L/opt/intel/mkl/8.0.1/lib/32 -lmkl_ia32 -lguide
> -lpthread
> LAPACK_LIBS    = -lmkl_lapack
> FFT_LIBS       =
> MPI_LIBS       =
> MASS_LIBS      = 
> 
> # -----------------------------
> # application-specific settings 
> 
> # See include/defs.h.README for a list of precompilation options
> # (possible arguments to -D or -U) and their meaning
> DFLAGS         = -D__LINUX -D__INTEL -D__FFTW -D__USE_INTERNAL_FFTW
> FDFLAGS        = $(DFLAGS)
> IFLAGS         = -I../include
> MODFLAGS       = -I. -I../Modules -I../PW -I../PH -I../iotk/src 
> 
> LIBOBJS        = ../flib/ptools.a ../flib/flib.a ../clib/clib.a
> ../iotk/src/libiotk.a
> # LIBS must contain the location of all needed external libraries
> LIBS           = $(LAPACK_LIBS) $(BLAS_LIBS) $(FFT_LIBS) $(MPI_LIBS)
> $(MASS_LIBS)
> # MYLIB can be one of the following (depending on LIBS):
> # blas       : compile the local copy of blas routines
> # lapack     : compile the local copy of lapack routines
> # blas_and_lapack : all of the above - use this for a quick test
> #              or if you don't have an optimized blas/lapack library
> # lapack_ibm : compile only lapack routines not present in IBM ESSL
> #              use this together with IBM ESSL
> # lapack_t3e : compile only lapack routines not present in T3E scilib
> #              use this together with T3E scilib
> # lapack_mkl : compile only lapack routines not present in Intel MKL
> #              use this together with Intel MKL
> MYLIB          = lapack_mkl 
> 
> 
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################################
Derek Stewart, Ph. D.
Scientific Computation Associate
250 Duffield Hall
Cornell Nanoscale Facility (CNF)
Ithaca, NY 14853
stewart (at) cnf.cornell.edu
(607) 255-2856