[CP2K:4582] compilation failure of cp2k-13093 with intel compiler

Iain Bethune ibet... at epcc.ed.ac.uk
Fri Aug 23 08:33:53 UTC 2013

Hi jsho,

I was able to compile the code OK with ifort Version Build 20130121.  Can you check what version of the compiler you are using.  I know that Version 11 has been problematic in the past, but as far as I know the 2013 versions should be OK.


- Iain


Iain Bethune
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On 23 Aug 2013, at 09:16, jsho wrote:

> Hi,
> I downloaded the latest version of CP2K via svn, and tried to build it with intel compiler:
> make -j 4 ARCH=Linux-x86-64-intel VERSION=popt
> I got a compilation error:
> ...
> /pkg/mpi/intel/12/mvapich2-1.8/bin/mpif90  -c -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -D__FFTW3 -D__LIBXC2 -D__LIBINT -D__HAS_smm_dnn -D__HAS_ISO_C_BINDING -I/pkg/chem/lib/intel/include -I/pkg/chem/lib/intel/libint/include -I/pkg/chem/lib/intel/fftw332/include   -O2 -xHOST -heap-arrays 64 -funroll-loops -fpp -free -D__COMPILE_ARCH="\"Linux-x86-64-intel\"" -D__COMPILE_DATE="\"Fri Aug 23 16:09:34 CST 2013\"" -D__COMPILE_HOST="\"alps6\"" -D__COMPILE_REVISION="\"svn:13093\"" -D__SHORT_FILE__="\"cp_files.F\"" /pkg/chem/workdir/cp2k-code/cp2k/makefiles/../src/cp_files.F 
> /pkg/chem/workdir/cp2k-code/cp2k/makefiles/../src/dbcsr_lib/dbcsr_types.F(261): error #8212: Omitted field is not initialized. Field initialization missing:   [POOL]
>   TYPE(dbcsr_memtype_type), PARAMETER :: dbcsr_memtype_default = dbcsr_memtype_type()
> ^
> compilation aborted for /pkg/chem/workdir/cp2k-code/cp2k/makefiles/../src/dbcsr_lib/dbcsr_types.F (code 1)
> make[1]: *** [dbcsr_types.o] Error 1
> make[1]: *** Waiting for unfinished jobs....
> make[1]: Leaving directory `/pkg/chem/workdir/cp2k-code/cp2k/obj/Linux-x86-64-intel/popt'
> make: *** [build] Error 2
> The error did not occur when I build cp2k-12791 with the same Linux-x86-64-intel.popt.  routine dbcsr_type.F of these two version are different, and the difference causes the compilation error.
> However the latest version of CP2K does compile successfully with gfortran.  
> Any suggestion?
> Best regards
> Jyh-Shyong Ho, Ph.D.
> Research Scientist
> National Center for High Performance Computing
> Hsinchu, Taiwan, ROC
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