Friends,
thank you very much for replying my previous problem...now during a run of TiC
material i have got the following message and my program has been
terminated...the message is given below
siesta: ==
Begin MD step =
I'd like to add that if you really need a cell this big, you could save
memory in Order-N calculations by using the OrderN.LowerMemory flag. There's
also a flag called SaveMemory for parallel calculations (yours should
be, since a cell this big is not something for serial SIESTA). Finally, the
mem
Dear Saswata,
and it looks like you use a huge unit cell. Is that really what you want?
(Remember, the lattice vectors are multiplied by the lattice constant)
Cheers Marcel
On Mon, 19 Mar 2007, Eduardo Anglada wrote:
Dear Saswata,
I think you don't have enough free memory.
Regards,
Eduardo
Dear Saswata,
I think you don't have enough free memory.
Regards,
Eduardo
siesta: Atomic forces (eV/Ang):
*** glibc detected *** malloc(): memory corruption: 0x086d9ff8 ***
Tot0.030.000.00
Max0.02
Res0.01sqrt( Sum f_i^2 / 3N )
Hm, this seems to be a complicated error. Googling "malloc(): memory
corruption:" shows that it happens for many different softwares. Usually
people make implicit that this is due to a system upgrade (when the glibc
changes) and the old code is linked to an older glibc. The solution
everyone gives
Hi,
This error also happens with intel fortran compiler.
Kamaram, could you send me a copy of the fdf and pseudos?
Also I need the compilation options you used.
Regards,
Eduardo
On 27/06/2008, at 19:18, Marcos Verissimo Alves wrote:
Hm, this seems to be a complicated error. Googling "malloc():
Hi,
As the system is so small (only 1 atom) you shouldn't parallelize over
bands, instead try over kpoints (diag.parallelOverK).
Best,
Eduardo
On 02/07/2008, at 21:35, Kamaram Munira wrote:
Hi,
I am getting another error now
* Maximum dynamic memory allocated = 1 MB
siesta:
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