[CP2K:5850] cp2k-2_5 regtesting: 27 tests failed as RUNTIME FAIL.

[Iain Bethune]

Dear Koushik,

At least some (if not all) of the failures are because you are using too many MPI processes when running the tests.  Some of them are only designed to be run with 2 processes.  If you re-run with only 2 processes you should have more success!

Cheers

- Iain

--

Iain Bethune
Project Manager, EPCC

Email: ibet... at epcc.ed.ac.uk
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> On 12 Nov 2014, at 23:48, Koushik Chatterjee <koushikch... at gmail.com> wrote:
> 
> Hello Sir,
> I have compiled "Linux-x86-64-gfortran.popt". After compilation, I run the regtest, but 27 tests are failed as RUNTIME FAIL. Can anybody help me to compile properly so that I can solve the runtime fail error. I am attaching my regtests output to check the all test results. Here is my ARCH file:
> 
> *******************************************************
> CC         = cc
> CPP        =
> FC         = mpif90
> LD         = mpif90
> AR         = ar -r
> LIBINT_LIB = koushik/LIB/libint-1.1.4/lib
> LIBINT_INC = koushik/LIB/libint-1.1.4/include
> LIBXC_LIB  = koushik/LIB/libxc-2.0.1/lib
> LIBXC_INC  =koushik/LIB/libxc-2.0.1/include
> MKL_LIB    = /opt/intel/composer_xe_2013.2.146/mkl/lib/intel64
> MKL_INC    = /opt/intel/composer_xe_2013.2.146/mkl/include
> DFLAGS     = -D__GFORTRAN -D__MKL -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC2\
>              -D__parallel -D__BLACS -D__SCALAPACK
> CPPFLAGS   =
> FCFLAGS    = $(DFLAGS) -O3 -ffast-math -ffree-form -ffree-line-length-none\
>              -ftree-vectorize -funroll-loops\
>              -mtune=native
> LDFLAGS    = $(FCFLAGS) -static-libgfortran -L$(LIBINT_LIB) -L$(LIBINT_INC)\
>              -L$(MKL_LIB) -L$(MKL_INC) -L$(LIBXC_LIB) -L$(LIBXC_LIB)
> LIBS       = -lderiv -lint -lstdc++ -lfftw3 -lmkl_gf_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 -lmkl_sequential -lmkl_core -lxc
> **********************************************************
> If anybody can help me to compile cp2k and to solve the runtime fail error, then I will be thankful.
> 
> Regards,
> koushik chatterjee
> 
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