problem in compile cp2k 2.4 for parallel code

[jian... at gmail.com]

>
> hi, thanks for the suggestion of Glen and Ari,
>
yes, the error is the lack of scalpack library.
as I add the library, the cp2k.popt is compiled.

But there are some other problems, 
when I test the H2O-32.inp in QS.
there is a error:
*************************************************************************
 *** 14:55:04 ERRORL2 in cp_dbcsr_cholesky:cp_dbcsr_cholesky_decompose ***
 *** processor 1  :: err=-300 condition FAILED at line 123             ***
 *************************************************************************
as I had read the topic of "any known issues for cp2k/2.4 with Openmpi 
1.6.5?" in cp2k google group,
who has the same error. 
in that topic, the cp2k work well by changing the openmpi1.6.5 with 1.7.2? 

but when I use openmpi 1.7.2 or 1.7.3 or 1.6.4 to compile cp2k, the error 
still exists.


In addition, when I compile openmpi with intel compiler, 
there are some warning when configure is going.

####################################
============================================================================
== Contributed software setup
============================================================================

*** Configuring contributed software packages
checking which contributed software packages should be disabled... 

--- libompitrace (m4 configuration macro)
checking if contributed component libompitrace can compile... yes

--- vt (m4 configuration macro)
checking whether PMPI is enabled... yes
checking whether C++ STL is suitable for vt... no
configure: WARNING: 
**************************************************************
configure: WARNING: *** VampirTrace cannot be built due to your STL appears 
to
configure: WARNING: *** be broken.
configure: WARNING: *** Pausing to give you time to read this message...
configure: WARNING: 
**************************************************************
checking if contributed component vt can compile... no
#################################### 

and after finishing the compiling progress, mpicc, mpifort, and mpirun work 
well,
but mpicxx can not work.

$ mpicxx
--------------------------------------------------------------------------
The Open MPI wrapper compiler was unable to find the specified compiler
no in your PATH.

Note that this compiler was either specified at configure time or in
one of several possible environment variables.
--------------------------------------------------------------------------

That is my Linux-x86-64-intel.popt

###############################################
CC       = gcc 
CPP      =   
FC       = mpif90
LD       = mpif90
AR       = ar -r
INTEL_MKL=/opt/intel/mkl
INTEL_INC = -I$(INTEL_MKL)/include -I$(INTEL_MKL)/include/fftw
INTEL_LIB = $(INTEL_MKL)/lib/intel64
DFLAGS   = -D__HAS_NO_ISO_C_BINDING -D__INTEL -D__FFTSG -D__parallel 
-D__BLACS -D__SCALAPACK -D__FFTW3  -D__LIBINT -D__LIBXC2
CPPFLAGS =  -C -traditional $(DFLAGS) -I$(INTEL_INC)
FCFLAGS  = $(DFLAGS) -I$(INTEL_INC) -O1 -msse2 -heap-arrays 64 
-funroll-loops -fpp -free
FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -O1 -msse2 -heap-arrays 64 -fpp -free
LDFLAGS  = $(FCFLAGS) -I$(INTEL_INC)
LIBS     = -Wl,--start-group -L${INTEL_LIB}  -lmkl_blacs_openmpi_lp64 
-lmkl_lapack95_lp64 \
-lmkl_scalapack_lp64 -lmkl_sequential -lmkl_intel_lp64 -lmkl_core \
$(INTEL_MKL)/interfaces/fftw3xf/libfftw3xf_intel.a -Wl,--end-group \
/home/myu1310/work/cp2k/cp2k-2.4.0/tools/hfx_tools/libint_tools/libint_cpp_wrapper.o 
\
/home/myu1310/work/cp2k/libint/libint114/lib/libderiv.a \
/home/myu1310/work/cp2k/libint/libint114/lib/libint.a \
/home/myu1310/work/cp2k/libxc/libxc202/lib/libxc.a \
-lstdc++ -lm -lpthread  -liomp5


OBJECTS_ARCHITECTURE = machine_intel.o


graphcon.o: graphcon.F
        $(FC) -c $(FCFLAGS2) $<

############################################### 

any suggestions?
thanks for help!!!

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