[CP2K:4726] compiling cp2k with ifort 14&friends

Iain Bethune ibet... at epcc.ed.ac.uk
Thu Oct 24 13:38:34 CEST 2013


Hi Alin,

The code in fft_tools.F is taken from Intel (http://software.intel.com/en-us/articles/how-to-set-number-of-users-threads-while-using-intel-mkl-fftw3-wrappers-3).

I think this discussion here http://software.intel.com/en-us/forums/topic/339666 confirms that the warning can be safely ignored.

Note with ifort 14.0, you can do without the -O1 for graphcon.F

Cheers

- Iain

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On 24 Oct 2013, at 12:19, Alin Marin Elena wrote:

> Hi, 
>  
> I try to compile cp2k (from trunk) with in ifort 14 during the linking stage I get this 
>  
> ld: Warning: alignment 16 of symbol `fftw3_mkl' in /ichec/home/packages/intel-cluster-studio/2013-sp1/composer_xe_2013_sp1.0.080/mkl/lib/intel64/libmkl_intel_lp64.so is smaller than 32 in /ichec/home/staff/alin/lavello/cp2k/cp2k/makefiles/../lib/fionn/psmp/libcp2k_lib.a(environment.o)
>  
> I see the alignment is defined in ../src/fft_tools.F +216
> and is set to 8.
> Any reason for that? (I have attached my arch)
>  
> regards,
> Alin
>  
> CC       = icc
> CPP      = 
> FC       = mpiifort -openmp -mt_mpi
> LD       = mpiifort -openmp -mt_mpi
> AR       = ar -r
> #DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -D__FFTMKL -D__ELPA -I$(MKLROOT)/include/fftw
> DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -D__FFTMKL -I$(MKLROOT)/include/fftw
> CPPFLAGS = 
> FCFLAGS  = $(DFLAGS)  -O3 -xHost -funroll-loops -fpp -free
> FCFLAGS2 = $(DFLAGS)  -O1 -xHost -fpp -free
> LDFLAGS  = $(FCFLAGS) 
> LIBS     = -L$(MKLROOT)/lib/intel64  -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lmkl_sequential -lmkl_intel_lp64 -lmkl_core
>  
> OBJECTS_ARCHITECTURE = machine_intel.o
>  
> graphcon.o: graphcon.F
>         $(FC) -c $(FCFLAGS2) $<
>  
>  
> -- 
> Without Questions there are no Answers!
> ______________________________________________________________________
> Dr. Alin Marin ELENA
> http://alin.elenaworld.net/
> ______________________________________________________________________
>  
> 
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