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: ===============================
Begin CG move = 0
===============================
outcoor: Atomic coordinates (Ang):
0.00000000 0.00000000 0.00000000 1 Co 1
superc: Internal auxiliary supercell: 9 x 9 x 9 = 729
superc: Number of atoms, orbitals, and projectors: 729 10935 11664
iodm: Reading Density Matrix from files
InitMesh: MESH = 30 x 30 x 30 = 27000
InitMesh: Mesh cutoff (required, used) = 600.000 629.128 Ry
* Maximum dynamic memory allocated = 42 MB
forrtl: severe (41): insufficient virtual memory
Image PC Routine Line Source
siesta 087E3E4B Unknown Unknown Unknown
siesta 087E346B Unknown Unknown Unknown
siesta 087A353E Unknown Unknown Unknown
siesta 087708D4 Unknown Unknown Unknown
siesta 0879066A Unknown Unknown Unknown
siesta 080FF229 Unknown Unknown Unknown
siesta 0816B158 Unknown Unknown Unknown
siesta 0804C525 Unknown Unknown Unknown
libc.so.6 0038AE23 Unknown Unknown Unknown
siesta 0804C461 Unknown Unknown
UnknownOn Wed, 2 Jul 2008 11:41:30 +0200
I am working on intel clusters with mpich2. I attached the necessary
files.
Thanks
-Kam
Eduardo Anglada <[EMAIL PROTECTED]> wrote:
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(): 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 is: "rebuild your code so that it links against the
new
glibc". Have you upgraded your linux lately, having run the parallel
version successfully before? If this is the problem, re-compiling
siesta
could be an option. Also, check if the compiler you have is
compatible
with the glibc you have.
Marcos
Vous avez écrit / You have written / Lei ha scritto / Você
escreveu...
Kamaram Munira
siesta: Atomic forces (eV/Ang):
*** glibc detected *** malloc(): memory corruption: 0x086d9ff8 ***
----------------------------------------
Tot 0.000003 0.000000 0.000000
----------------------------------------
Max 0.000002
Res 0.000001 sqrt( Sum f_i^2 / 3N )
----------------------------------------
Max 0.000002 constrained
siesta: Stress tensor (static) (eV/Ang**3):
0.068880 0.000000 0.000000
0.000000 0.068880 0.000000
0.000000 0.000000 0.074825
siesta: Pressure (static): -113.53402281 kBar
siesta: Stress tensor (total) (eV/Ang**3):
0.068880 0.000000 0.000000
0.000000 0.068880 0.000000
0.000000 0.000000 0.074825
siesta: Pressure (total): -113.53402281 kBar
mulliken: Atomic and Orbital Populations:
Species: Au
Atom Qatom Qorb
6s 6s 5dxy 5dyz 5dz2 5dxz
5dx2- y2
5dxy
5dyz 5dz2 5dxz 5dx2-y2
forrtl: error (76): Abort trap signal
Image PC Routine Line Source
siesta 083CDB7F Unknown Unknown Unknown
siesta 083CD19F Unknown Unknown Unknown
siesta 0838D376 Unknown Unknown Unknown
siesta 0835A70C Unknown Unknown Unknown
siesta 0835E431 Unknown Unknown Unknown
libpthread.so.0 00BF1888 Unknown Unknown Unknown
libc.so.6 00883199 Unknown Unknown Unknown
libc.so.6 008B54EA Unknown Unknown Unknown
libc.so.6 008BC64C Unknown Unknown Unknown
libc.so.6 008BE0B1 Unknown Unknown Unknown
siesta 08300184 Unknown Unknown Unknown
Stack trace terminated abnormally.
Can someone tell me how to fix this?
Thanks
-Kam
-----------------------
Kamaram Munira
Graduate Research Assistant
Charles Brown Department
of Electrical Engineering
University of Virginia
Charlottesville, VA-22903.
--
Dr. Marcos Verissimo Alves
Post-Doctoral Fellow
Unité de Physico-Chimie et de Physique des Matériaux (PCPM)
Université Catholique de Louvain
1 Place Croix du Sud, B-1348
Louvain-la-Neuve
Belgique
------
Gort, Klaatu barada nikto. Klaatu barada nikto. Klaatu barada nikto.
Translation: Gort, Google is your friend. Google is your friend.
Google is
your friend.
-----------------------
Kamaram Munira
Graduate Research Assistant
Charles Brown Department
of Electrical Engineering
University of Virginia
Charlottesville, VA-22903.
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