Compilation bug

[Hans Pabst]

Hello Артём,

In addition to Jörg's note, I also wanted to point out that -D__FFTMKL does 
not toggle anything in CP2K's source code (unless you changed it locally). 
However, there is __MKL such that adding -D__MKL eventually enables MKL 
specific code. The other thing is about -D__LIBXSTREAM, where I believe it 
is only in your build instructions because it is taken from somewhere 
(unless you are experimenting with KNC/offload). Perhaps the latter is 
meant to be __LIBXSMM? If so, you are missing this library on your link 
line.

Hans


Am Montag, 25. April 2016 13:32:39 UTC+2 schrieb Артём Самцевич:
>
> I tried to compile cp2k with *ifort 13.0.1, *fftw and mkl provided by 
> *intel*.
> configuration file looks like:
>
> * PERL     = perl*
> * CPP      = #cpp*
> * AR       = ar -r*
> * 
> INTEL_MKL=/gpfsHOME/apps/intel/composer_xe_2013.1.117/composer_xe_2013.1.117/mkl*
> * INTEL_INC=$(INTEL_MKL)/include/fftw*
> * INTEL_LIB=$(INTEL_MKL)/lib/intel64*
> * CC=mpiicc*
> * FC=mpiifort*
> * LD=mpiifort*
> * CXX=mpiicpc*
> * LIBXC_LIB=/gpfsHOME/home/asamtsevich/app/libxc/lib*
> * LIBXC_INC=/gpfsHOME/home/asamtsevich/app/libxc/include*
> * DFLAGS=-D__INTEL -D__FFTSG -D__FFTW3 -D__FFTMKL -D__parallel -D__BLACS 
>  -D__SCALAPACK -D__LIBXSTREAM - D__HAS_ISO_C_BINDING -D__USE_CP2K_TRACE 
> -DNDEBUG*
> * CPPFLAGS = -C -traditional $(DFLAGS) -I$(INTEL_INC)*
> * FFTW_LIB=/gpfsHOME/apps/fftw/lib*
> * FFTW_INC=/gpfsHOME/apps/fftw/include*
> * FCFLAGS = $(DFLAGS) -I$(INTEL_INC) -O2 -xHost -heap-arrays 64 -fpp -free 
> -pc 64 -convert big_endian*
> * LDFLAGS = $(FCFLAGS) -static-intel*
> * 
> MKL_LIB=/gpfsHOME/apps/intel/composer_xe_2013.1.117/composer_xe_2013.1.117/mkl/lib/intel64*
> * LIBS = -L$(INTEL_LIB) -lfftw3xf_intel -lmkl_intel_lp64 -lmkl_sequential 
> -lmkl_core -lmkl_scalapack_lp64 - lmkl_blacs_intelmpi_lp64*
> * OBJECTS_ARCHITECTURE = machine_intel.o*
>
> And I got error:
>
> /tmp/ifortMFleX8.i: catastrophic error: **Internal compiler error: 
> segmentation violation signal raised** Please report this error along 
> with the circumstances in which it                occurred in a Software 
> Problem Report.  Note: File and line given may not be explicit cause of 
> this error.
>
> compilation aborted for 
> /gpfsHOME/home/asamtsevich/cp2k/cp2k/src/dbcsr/data/dbcsr_ptr_util.F (code 
> 1)
>
> make[3]: *** [dbcsr_ptr_util.o] Error 1
>
> make[3]: *** Waiting for unfinished jobs....
>
> make[2]: *** [all] Error 2
>
> make[1]: *** [popt] Error 2
>
> make: *** [all] Error 2
>
> I've seen similar problem here 
> <https://groups.google.com/forum/#!msg/cp2k/-EFK_bjThHs/MGAVJemFDgAJ>.
>
> I hope it's easy to fix.
> Any comments | ideas | suggestion are welcomes. 
>
> Thanks in advance.
>
>
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