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

[Koushik Chatterjee]

Sir, 
I run one test (H2O-delta-01.inp) using 2 processes, but still getting 
error:

MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD 
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.

AND IN OUTPUT :

*****************************************************
 *** ERROR in cp_fm_syevd_base (MODULE cp_fm_diag) ***
 *****************************************************

 *** Matrix diagonalization failed ***

 *** Program stopped at line number 436 of MODULE cp_fm_diag ***

 ===== Routine Calling Stack =====

            3 cp_fm_syevd_base
            2 cp_fm_syevd
            1 CP2K
 CP2K| Abnormal program termination, stopped by process number 0
*******************************************************************************

On Thursday, November 13, 2014 8:36:49 AM UTC+1, IBethune wrote:
>
> 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: ibe... at epcc.ed.ac.uk <javascript:> 
> Twitter: @IainBethune 
> Web: http://www2.epcc.ed.ac.uk/~ibethune 
> Tel/Fax <http://www2.epcc.ed.ac.uk/~ibethuneTel/Fax>: +44 (0)131 650 
> 5201/6555 
> Mob: +44 (0)7598317015 
> Addr: 2404 JCMB, The King's Buildings, Peter Guthrie Tait Road, Edinburgh, 
> EH9 3FD 
>
> > On 12 Nov 2014, at 23:48, Koushik Chatterjee <koushi... at gmail.com 
> <javascript:>> 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 
> > 
> > -- 
> > You received this message because you are subscribed to the Google 
> Groups "cp2k" group. 
> > To unsubscribe from this group and stop receiving emails from it, send 
> an email to cp2k+... at googlegroups.com <javascript:>. 
> > To post to this group, send email to cp... at googlegroups.com 
> <javascript:>. 
> > Visit this group at http://groups.google.com/group/cp2k. 
> > For more options, visit https://groups.google.com/d/optout. 
> > <regtest.out> 
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141113/1385c2e5/attachment.htm>