[Pw_forum] Execution error on 5.1.2 version

[Alexander Martins]

  Hi Paolo,

  I run interactively and I have got the folloeing error message:

> /../mpich-3.1.4/local/bin/mpirun -np 4
/Cluster/Science/espresso-5.1.2/bin/pw.x  < s8.in > s8.out
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line
Source
libmkl_mc3.so      00002AAAB0A312DF  Unknown               Unknown  Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line
Source
libmkl_mc3.so      00002AAAB09F02DF  Unknown

  The s8.output is:

     Program PWSCF v.5.1.2 starts on 23Mar2015 at  9:33:16

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details
at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on     4 processors
     R & G space division:  proc/nbgrp/npool/nimage =       4
     Waiting for input...
     Reading input from standard input

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3

     -------------------------------------
     Parameters for Dispersion Correction:
     -------------------------------------
       atom      VdW radius       C_6

        S          3.180        193.230

     Subspace diagonalization in iterative solution of the eigenvalue
problem:
     a serial algorithm will be used


===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   PID 31568 RUNNING AT dirac
=   EXIT CODE: 174
=   CLEANING UP REMAINING PROCESSES
=   YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
===================================================================================

   I google libmkl_mc3.so + segmentation fault occurred but only a few
results are obtained, none with quantum espresso. Any sugestions?

   Thanks,

             Alexander.


2015-03-20 11:12 GMT-03:00 Paolo Giannozzi <paolo.giannozzi at uniud.it>:

> On Thu, 2015-03-19 at 12:01 -0300, Alexander Martins wrote:
>
> > mpirun -np 24 /Cluster/Science/espresso-5.1.2/bin/pw.x  < $INP >
> > $PBS_JOBNAME.out
>
> do not redirect to output, or run interactively from a terminal,
> and look what comes out. You may want to verify that variable $INP
> points to something
>
> >   I have compiled with ifort+MKL and external mpich and fftw3
> > libraries. The make.sys is attached.
>
> it is exceeedingly unlikely that what you describe is a problem
> of the code.
>
> Paolo
>
> --
>  Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
>  Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>  Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150323/2249b007/attachment.html>