[Pw_forum] CRASH when running example18

[Peiqing Shen]

Hi,

After compiling the PWscf package, I tried to run all
executables one by one. But I got only PW.X to run
without any problem. When I tried to run example18 (in
parallel version), I got the following message:

/bigdisk/staff/pshen/esp3_2_3/espresso-3.2.3/examples/example18
: starting

This example shows how to use cp.x to perform
molecular dynamics
simulation of SiO2.

  executables directory:
/bigdisk/staff/pshen/esp3_2_3/espresso-3.2.3/bin
  pseudo directory:     
/bigdisk/staff/pshen/esp3_2_3/espresso-3.2.3/pseudo
  temporary directory:   /home/staff/pshen/tmp
  checking that needed directories and files exist...
done

  running cp.x as: mpirun -np 1
/bigdisk/staff/pshen/esp3_2_3/espresso-3.2.3/bin
/cp.x 

  cleaning /home/staff/pshen/tmp... done
  running the calculation with fixed ions...FORTRAN
STOP
 done
  running the calculation with fixed ions,
restart...###########################
################################################################################
#############
# UNRECOVERABLE ERROR (ierr=1)
# ERROR IN: iotk_scan_dat_aux (iotk_dat.spp:461)
# CVS Revision: 1.3 
# Missing dat
################################################################################
########################################
[0] MPI Abort by user Aborting program !
[0] Aborting program!
 done
  running the variable-cell calculation...[0] MPI
Abort by user Aborting program
 !
[0] Aborting program!
 done
  running the variable-cell calculation, restart...[0]
MPI Abort by user Abortin
g program !
[0] Aborting program!
 done

/bigdisk/staff/pshen/esp3_2_3/espresso-3.2.3/examples/example18
: done

I go to  results directory, the the file 'CRASH' have
the following message:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #         0
     from cp_read_cell : error #         1
     cannot open restart file for reading:
/home/staff/pshen/tmp/cp_93.save/data-file.xml

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

It's true that there is no file in the directory
/home/staff/pshen/tmp/cp_93.save

Could any one let me know what happened when
restarting CP.X?

THanks a lot.

Peiqing Shen
CTSPS & Dept. of Physics
Clark Atlanta University



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