terminated with signal 11

Andreas Achazi ajal... at gmail.com
Sun Dec 15 18:04:35 CET 2013


Dear all,
I try to do a simple structure optimization in vacuuum. Unfortunately, the 
calculation stops with the following error:
 
*cp2k.popt:17481 terminated with signal 11 at PC=7fffabe3174e 
SP=7fffffff54e0.  Backtrace:*
*/cm/shared/apps/intel/mpi/4.1.0.024l/intel64/lib/libmpi.so.4(MPID_nem_handle_pkt+0x39e)[0x7fffabe3174e]*
*/cm/shared/apps/intel/mpi/4.1.0.024l/intel64/lib/libmpi.so.4(MPID_nem_tmi_poll+0x5ac)[0x7fffac012f5c]*
*/cm/shared/apps/intel/mpi/4.1.0.024l/intel64/lib/libmpi.so.4(MPID_nem_network_poll+0x30)[0x7fffabf639d0]*
*/cm/shared/apps/intel/mpi/4.1.0.024l/intel64/lib/libmpi.so.4(MPIDI_CH3I_Progress+0x88e)[0x7fffabe2ad8e]*
*/cm/shared/apps/intel/mpi/4.1.0.024l/intel64/lib/libmpi.so.4(PMPI_Sendrecv+0xb7c)[0x7fffabfee9dc]*
*/cm/shared/apps/intel/composer_xe/2013.5.192/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.so(BI_BeComb+0x16a)[0x7fffad0eadea]*
*/cm/shared/apps/intel/composer_xe/2013.5.192/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.so(Cigamn2d+0x7a5)[0x7fffad0e5cf5]*
*/cm/shared/apps/intel/composer_xe/2013.5.192/mkl/lib/intel64/libmkl_scalapack_lp64.so(Cpdgemr2d+0x4b2)[0x7fffaf8996d2]*
*/cm/shared/apps/intel/composer_xe/2013.5.192/mkl/lib/intel64/libmkl_scalapack_lp64.so(pdgemr2d_+0x4b)[0x7fffaf89af3b]*
*cp2k.popt[0x11961b4]*
*cp2k.popt[0x10678ec]*
*cp2k.popt[0x501bff]*
*cp2k.popt[0x410497]*
*cp2k.popt[0x40e934]*
*cp2k.popt[0x40b1e2]*
*cp2k.popt[0x40931c]*
*/lib64/libc.so.6(__libc_start_main+0xfd)[0x7fffab5bfd1d]*
*cp2k.popt[0x409219]*

The entire input and output is attached (except t_sh_p_s_c.dat, t_c_g.dat 
and dftd3.dat, because they are too large.). I start the calculation on 8 
cpu with :
*mpiexec.hydra -psm -bootstrap slurm -n 8 cp2k.popt liic1.inp > test.out*
The queuing <http://www.dict.cc/englisch-deutsch/queuing.html> system is 
Slurm. 
It is the cp2k 2.4 developer version from early June, so one week before 
the official release of cp2k 2.4 stable.


My question is: Does CP2K not work, because the MPI system of my computer 
system have a problem (and the error has nothing to do with CP2K) or is 
this a CP2K error (so for example I made a mistake in the input).

greetings
Andreas


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