Hi Marcos,
I will try again in applying these conseils.Merci much
for your answer and when I will settle this problem I
will give you the solution.
Thank you for your response
Dahbia
Adresse en Algérie:
Melle: Dahbia AMMI
Laboratoire de Physique et Chimie Quantique (LPCQ), Université Mouloud
Dahbia,
I had the same problem by the beginning of the week - see the emails of
this Tuesday, in which Emilio Artacho gave me a hint as to what the
problem could be. Looks like that if your orbitals are too extended, you
could have orthogonality problems and this crash appears. Looking at your
inp
You can select your running time by adding the parameter -W in your submission
script.
example:
---
# ! /bin/tcsh #BSUB -q
#BSUB -W 120
./~siesta < file.fdf > file.out
---in this example I choosed 120min. if you don't do this, the
system takes the default va
Sahit Omar,
I tested it several times and it stops at the 2nd
iteration.
I tested it on another machine because i think that it
is the problem of memory but it always gives me the
same problem.
You also, you use Siesta
Thank you for this response
Dahbia
--- Adjaoud Omar <[EMAIL PROTECTED]> a
é
Azul Dahbia,
This kind of problem sometimes it's come from the compiler and the
architecture of the machine. try to run this job in the another node.
I hope that this can help you..
Cheers,
Omar
On Thu, February 21, 2008 9:37 am, Dahbia Ammi wrote:
> Hi,
>
>
> I want to calculate the equilibrium
Hi Nabil,
thank you for your response.
Yes I have this message In the top of my output file:
TERM_RUNLIMIT: job killed after reaching LSF run
time limit.Exited with exit code
159.--
I tested it several times and it stops at the 2nd
itera
Hi,
Thanks for your response.
I tested it several times and it stops at the 2nd
iteration. I have not killed it.
I tested it on another machine because i think that it
is the problem of memory but it always gives me the
same problem.
I will try again.
Thank you
Dahbia
--- N H <[EMAIL PROTECTED
An stupid question ... are u sure that its not a problem of your queue
system?! ... because tehre is a message stating that your jog was
killed after reaching the LSF run time limit ...
On Thu, Feb 21, 2008 at 2:52 PM, N H <[EMAIL PROTECTED]> wrote:
> Dear Dahbia ...
>
> Looks like you dont have
Hi Dahbia,
In the top of your output file, you have this message:
TERM_RUNLIMIT: job killed after reaching LSF run time limit.Exited with exit
code 159.--
LSF (load sharing facility), is an application(like PBS) that makes you able to
sub
Dear Dahbia ...
Looks like you dont have enough memory to do this caculation ... just
check tha last lines of your output file. I dont know your system, but
i've tested your input file on my machines and i have find no problems
...dont know why u have specified 138 MB ... but my calculations here
Hello everybody,
This is a newby question. I wish to have some overview of
the parallelization process implemented in Siesta. I mean
general things, like
1) how is I/O handled (process 0 takes care of everything ?),
2) while parallelizing over k, are the results sent back
one by one or
Hi,
Thank you for this response.
I have attached the input file .fdf and the output
file .out.
Thanks in advance
Dahbia
Adresse en Algérie:
Melle: Dahbia AMMI
Laboratoire de Physique et Chimie Quantique (LPCQ), Université Mouloud Mammeri,
Tizi-OUzou, 15000, Algérie.
_
Dear DA
Most of times this error is elated to some mistake in the input file
... that sort that u cant see easily ... if u can atach your input
file I think that someone here will be able to help you!
Greetings
NH
On Thu, Feb 21, 2008 at 9:37 AM, Dahbia Ammi <[EMAIL PROTECTED]> wrote:
> Hi,
>
>
Dear Siesta community,
We have some problem regarding to different compilation of Siesta. Siesta is
compiled with two different compilers path and gnu but they results in two
different out puts for the same input (sample job h2o.fdf).
The version compiled with gnu is in agreement
Hi,
I want to calculate the equilibrium geometrie of the
stilbene. First, i have injected the coordinates
initial and i have a results. After i took coordinates
and I injected into the same file .fdf, and it gives
me this error message:
Clustered eigenvectors not converged - more memory
required
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