compilation failure of cp2k-13093 with intel compiler

jsho jyhsh... at
Fri Aug 23 08:16:41 UTC 2013


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__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\"" 
error #8212: Omitted field is not initialized. Field initialization 
missing:   [POOL]
  TYPE(dbcsr_memtype_type), PARAMETER :: dbcsr_memtype_default = 
compilation aborted for 
(code 1)
make[1]: *** [dbcsr_types.o] Error 1
make[1]: *** Waiting for unfinished jobs....
make[1]: Leaving directory 
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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