Dear Marcos,

Thanks for your suggestions. Changing optimization from O3 to O2 didn't help but the problem, as you suggested, is probably in mpi or libraries. At the momemnt I can run parallel siesta to the point where the memory is checked. Then it crashes. Here is a part of out file:

InitMesh: Mesh cutoff (required, used) =   225.000   244.755 Ry
p0_5146: (60.036989) xx_shmalloc: returning NULL; requested 4976688 bytes
p0_5146: (60.036989) p4_shmalloc returning NULL; request = 4976688 bytes
You can increase the amount of memory by setting the environment variable
P4_GLOBMEMSIZE (in bytes); the current size is 4194304
p0_5146:  p4_error: alloc_p4_msg failed: 0

It is quite wired.

All the best,
Mariusz.


----------------------------------------------------------------------
Dr Mariusz Krawiec
Institute of Physics                            Phone: +48 81 537 6146
M Curie-Sklodowska University                     Fax: +48 81 537 6191
pl. M. Curie-Sklodowskiej 1         E-mail: [EMAIL PROTECTED]
20-031 Lublin, Poland                  http://www.fnano.umcs.lublin.pl

----                                                              ----
If you think of MS-DOS as mono, and Windows as stereo, then Linux is
Dolby Pro-Logic Surround Sound with Bass Boost and all the music is
free. - unknown
----                                                              ----

On Wed, 30 May 2007, Marcos Verissimo Alves wrote:

Hi Mariusz,

I would use O2 optimization instead of O3. O3 does not always yield
improvements in performance, and can in some cases lead to numerical
errors. However, from your error messages, I would guess the error could
lie not in siesta, but in the mpi compilation - that is, if mpi is
compiled from scratch. Just a wild guess.

Cheers,

Marcos

Dear Siesta users,

Happy to join the list.

I have a problem with running Siesta in parallel mode on IA64 cluster.

The compilation was sucessful, albeit with some warnings:

fortcom: Warning: Optimization suppressed due to excessive resource
requirements; contact Intel Premier Support
in file siesta.F, line 11, column 0

At the end I got executable file.
For compilation (following arch.make file distributed with Siesta) I used:

ifort -Vaxlib -c -O3 -tpp2 -W0   -DMPI -DNODAT -DWXML_INIT_FIX
-DHAS_DLAMC3 -DALLOC_SAVE_BUG

When I try to run it on 2 processors (mpirun -np 2) the program stops and
I get a message:

rm_5015:  p4_error: semget failed for setnum: 0
p0_16457: (0.200573) net_recv failed for fd = 5
p0_16457:  p4_error: net_recv read, errno = : 104

When I run on one processor only (mpirun -np 1) everything is ok.
Note that siesta is compiled to run in parallel mode.

Thanks for any suggestions.
Mariusz.


----------------------------------------------------------------------
Dr Mariusz Krawiec
Institute of Physics                            Phone: +48 81 537 6146
M Curie-Sklodowska University                     Fax: +48 81 537 6191
pl. M. Curie-Sklodowskiej 1         E-mail: [EMAIL PROTECTED]
20-031 Lublin, Poland                  http://www.fnano.umcs.lublin.pl

----                                                              ----
If you think of MS-DOS as mono, and Windows as stereo, then Linux is
Dolby Pro-Logic Surround Sound with Bass Boost and all the music is
free. - unknown
----                                                              ----



--
Dr. Marcos Verissimo Alves
Post-Doctoral Fellow
Condensed Matter and Statistical Physics Sector
International Centre for Theoretical Physics
Trieste, Italy

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I have become so addicted to vi that I try to exit OpenOffice by typing :wq!


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