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[Fabien Bruneval <fabien.bruneval@cea.fr>]

Maybe you're running out of memory...
You're trying to diagonalize a 53927x53927 matrix. That is a 43 Gb matrix...
Are you sure your computer has more than 43 Gb RAM?

I would advise you to turn to partial diagonalization with kssform=3.
Bye.

Fabien


On 03/08/2010 05:13 PM, mamikon Gulian wrote:

8c975c261003080813q11cdf48u55f7594476c516ba@mail.gmail.com" type="cite">Strange things in the log file:

Total amount of disk space required by _KSS file =  -450.94 Mb.
  Subdivided into :
  Header             =     0.82 Mb.
  KB elements        =   108.62 Mb.
  Wavefunctions (PW) =  -560.38 Mb.
  PAW projectors     =     0.00 Mb.


 Opening file for KS structure output: nt-nonscf_o_KSS
 number of Gamma centered plane waves  53927
 number of Gamma centered shells  53927
 number of bands  52235
 maximum angular momentum components      3
 number of symmetry operations  1 (without inversion)
   *   g( 1)=  0  0  0
   *   g( 2)=  1  0  0
   *   g( 3)= -1  0  0
   *   g( 4)=  0  1  0
   *   g( 5)=  0 -1  0
   *   g( 6)=  1  1  0
   *   g( 7)= -1  1  0
   *   g( 8)=  1 -1  0
   *   g(****)=-13  2-11
   *   g(****)=  2 13-11
   *   g(****)= -2 13-11
   *   g(****)=  2-13-11
   *   g(****)= -2-13-11
   *   g(****)= 13 -2-11
   *   g(****)=-13 -2-11
-P-0000
-P-0000  k-point   1
-P-0000  Calculating <G|H|G'> elements

On Mon, Mar 8, 2010 at 11:00 AM, mamikon Gulian <mamikon.armen.gulian@gmail.com> wrote:

Dear ABINITers,

I got the following unexpected error with ABINIT 5.8.4. This occurs during a non-scf KSS file calculation, after the program writes the g-vectors to the file and begins to calculate < G | H | G > elements.

Running with mpi (Open MPI 1.4.1), 11 cpus: glibc detected *** abinip: malloc(): memory corruption: 0x0000000002e0ac50 ***

I though it was a bug with MPI, so I tried a sequential run:  *** glibc detected *** abinis: malloc(): memory corruption: 0x0000000004d80260 ***

I never got such an error before. Anyone have an idea?

Thanks

Mamikon