<div dir="ltr">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:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">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: <a href="javascript:" target="_blank" gdf-obfuscated-mailto="FMwMT8btqF8J" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">ibe...@epcc.ed.ac.uk</a> Twitter: @IainBethune Web: <a href="http://www2.epcc.ed.ac.uk/~ibethuneTel/Fax" target="_blank" onmousedown="this.href='http://www.google.com/url?q\75http%3A%2F%2Fwww2.epcc.ed.ac.uk%2F~ibethuneTel%2FFax\46sa\75D\46sntz\0751\46usg\75AFQjCNFFX2aa_LeyI8qZrXJ4SWGN4STQIA';return true;" onclick="this.href='http://www.google.com/url?q\75http%3A%2F%2Fwww2.epcc.ed.ac.uk%2F~ibethuneTel%2FFax\46sa\75D\46sntz\0751\46usg\75AFQjCNFFX2aa_LeyI8qZrXJ4SWGN4STQIA';return true;">http://www2.epcc.ed.ac.uk/~ibethune Tel/Fax</a>: +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 <<a href="javascript:" target="_blank" gdf-obfuscated-mailto="FMwMT8btqF8J" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">koushi...@gmail.com</a>> 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 <a href="javascript:" target="_blank" gdf-obfuscated-mailto="FMwMT8btqF8J" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp2k+uns...@googlegroups.com</a>. > To post to this group, send email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="FMwMT8btqF8J" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>. > Visit this group at <a href="http://groups.google.com/group/cp2k" target="_blank" onmousedown="this.href='http://groups.google.com/group/cp2k';return true;" onclick="this.href='http://groups.google.com/group/cp2k';return true;">http://groups.google.com/group/cp2k</a>. > For more options, visit <a href="https://groups.google.com/d/optout" target="_blank" onmousedown="this.href='https://groups.google.com/d/optout';return true;" onclick="this.href='https://groups.google.com/d/optout';return true;">https://groups.google.com/d/optout</a>. > <regtest.out> </blockquote></div>