[Octopus-users] Runtime error

[#YANG JING#]

Hi~ everyone,

Is there anyone could give my some suggestion? I am trying to parallel the Octopus.

My environment is

os: Redhat EL5
arch: x86_64
compiler: ifort 11.1
mpich2: 1.2.1

I configurate octopus as

./configure --prefix=/home/jyang/root/usr --program-suffix=.para --with-gsl-prefix=$HOME/root/usr   --enable-mpi CC='mpicc' --with-blas="-L/opt/intel/mkl/10.2.3.029/lib/em64t -lmkl_intel_ilp64 -lmkl_
intel_thread -lmkl_core" FC=mpif90

The input file is 

============================
CalculationMode = gs
Units = eV_Angstrom

radius = 3.5
spacing = 0.25

CH = 1.2
%Coordinates
  "C" |           0 |          0 |           0
  "H" |  CH/sqrt(3) | CH/sqrt(3) |  CH/sqrt(3)
  "H" | -CH/sqrt(3) |-CH/sqrt(3) |  CH/sqrt(3)
  "H" |  CH/sqrt(3) |-CH/sqrt(3) | -CH/sqrt(3)
  "H" | -CH/sqrt(3) | CH/sqrt(3) | -CH/sqrt(3)
%
============================

and get the following runtime error (the full output file is attached)

>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
Info: Gradient x
      Total throughput (MFlops) real =    3457 complex =    5668
Info: Gradient y
      Total throughput (MFlops) real =    3297 complex =    5547
Info: Gradient z
      Total throughput (MFlops) real =    3902 complex =    6279
Info: Laplacian
      Total throughput (MFlops) real =    3887 complex =    6221
Info: Generating weights for finite-difference discretization.
*** glibc detected *** /home/jyang/root/usr/bin/octopus.para_mpi: malloc(): memory corruption: 0x0000000019e1a
620 ***======= Backtrace: =========
/lib64/libc.so.6[0x34bce72f39]
/lib64/libc.so.6(__libc_malloc+0x6e)[0x34bce74bee]
/lib64/libc.so.6(catopen+0x3c)[0x34bce2ea5c]
/opt/intel/Compiler/11.1/064/lib/intel64/libifcore.so.5(for__issue_diagnostic+0xf4)[0x2b373a83b814]
/opt/intel/Compiler/11.1/064/lib/intel64/libifcore.so.5(for__signal_handler+0xe1)[0x2b373a84b531]
/lib64/libpthread.so.0[0x34bd60e7c0]
/opt/intel/mkl/10.2.3.029/lib/em64t/libmkl_lapack.so(mkl_lapack_dlacpy+0x41a)[0x2b373d840e7a]
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