[CP2K:7708] Compilation bug

Jörg Saßmannshausen j.sassma... at ucl.ac.uk
Mon Apr 25 14:08:58 CEST 2016


Dear ??

this looks like an Internal Compiler Error (ICE) which means the Intel 
Compiler you are using has the problem, not the code.

The cure here is usually upgrading (or downgrading) the compiler version.

Have you tried that?

I have used version 2015.1.133 with the latest cp2k (3.x) without any problems 
for example.

I hope that helps a bit.

All the best from a cold London

Jörg

On Monday 25 Apr 2016 04:32:39 Артём Самцевич wrote:
> 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 = $(FCFLAGS) -static-intel*
> *
> MKL_LIB=/gpfsHOME/apps/intel/composer_xe_2013.1.117/composer_xe_2013.1.117/m
> kl/lib/intel64* * LIBS = -L$(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.


-- 
*************************************************************
Dr. Jörg Saßmannshausen, MRSC
University College London
Department of Chemistry
20 Gordon Street
London
WC1H 0AJ 

email: j.sassma... at ucl.ac.uk
web: http://sassy.formativ.net

Please avoid sending me Word or PowerPoint attachments.
See http://www.gnu.org/philosophy/no-word-attachments.html
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