22.09.2015 23:08, Luis Ogando wrote:
r1i1n1 -
top - 17:40:46 up 12 days, 9 min, 2 users, load average: 10.55, 4.34, 1.74
Cpu(s):100.0%us, 0.0%sy, 0.0%ni, 0.0%id, 0.0%wa, 0.0%hi, 0.0%si,
r1i1n2 -
top - 17:42:30 up 221 days, 6:29, 1 user, load average: 10.76, 9.59
22.09.2015 23:08, Luis Ogando wrote:
r1i1n2
PID USER PR NI VIRT RES SHR S %CPU %MEMTIME+ COMMAND
2096 ogando20 0 927m 642m 20m R9 1.8 0:09.30 lapw1c_mpi
2109 ogando20 0 926m 633m 17m R9 1.8 0:14.58 lapw1c_mpi
2122 ogando20 0 924m 633m 1
23.09.2015 12:20, Lyudmila Dobysheva wrote:
the jobs are all at one node
at one processor of the node, of course
Lyudmila Dobysheva
--
Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci.
426001 Izhevsk, ul.Kirova 132
RUSSIA
With only a few seconds cpu time, the job is just in the starting phase
(allocating memory, reading files, distributing data) and thus cpu-load
is very low.
A few seconds later, this should reach about 100 % for each lapw1_mpi.
On 09/23/2015 11:20 AM, Lyudmila Dobysheva wrote:
22.09.2015 23:0
23.09.2015 12:22, Lyudmila Dobysheva wrote:
the jobs are all at one processor of the node
Try for to be sure:
In top at n2 type "1" to show individual CPU usage.
It is better to make this after some time to pass the starting phase.
23.09.2015 11:25, Peter Blaha wrote:
> With only a few seconds
Dear Prof. Blaha and Lyudmila Dobysheva,
Many thanks for your comments !
Unfortunately, users have no privileges in the cluster. I will send your
comments to the administrators and let's see what happens.
Many thanks again,
Luis
It is hard to work this out remotely, particularly with unfriendly
sys_admin.
I would find out if you have ganglia available, see
http://techpubs.sgi.com/library/tpl/cgi-bin/getdoc.cgi/linux/bks/SGI_Admin/books/ICEX_Admin_Guide/sgi_html/ch05.html#Z1190844523tls
. This is much more useful than top.
Dear Prof. Marks,
Thank you for your comment.
I sent your suggestions to the administrators.
All the best,
Luis
2015-09-23 8:56 GMT-03:00 Laurence Marks :
> It is hard to work this out remotely, particularly with unfriendly
> sys_admin.
>
> I would find out if you have
Nooo!
You should use ganglia yourself.
---
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
http://www.numis.northwestern.edu
Corrosion in 4D http://MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else ha
Thank you very much sir for the kind reply .
On Tue, Sep 22, 2015 at 3:37 PM, pieper wrote:
> Dear Paresh,
>
> your initial .struct is almost certainely wrong. The WARNINGs from nn
> indicate that you put two different atoms at the same locations, probably
> by entering them into equivalent crys
Hi,
I can not access the nodes. SSH among them is forbidden ! We have to ask
the administrators for anything !! It is the hell !!
Of course, only the PBS jobs can "travel" among the nodes.
All the best,
Luis
2015-09-23 9:14 GMT-03:00 Laurence Marks :
> Nooo!
>
> Y
Ganglia is web based, you don't need ssh. Please read the link I sent.
---
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
http://www.numis.northwestern.edu
Corrosion in 4D http://MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to
Hello Suvadip Das,
Your message to A Mailing list for WIEN2k users, dated Tuesday, September 8,
2015, 10:32:47 PM, has in fact been read.
If your message requires an answer, A will answer when time permits.
The Bat! - automatic mail servant of Victor.
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0K ! In this case, I will try it !
Many thanks,
Luis
2015-09-23 9:23 GMT-03:00 Laurence Marks :
> Ganglia is web based, you don't need ssh. Please read the link I sent.
>
> ---
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
-- Forwarded message --
From: Marzieh Gh
Date: Wed, Sep 23, 2015 at 11:18 AM
Subject: Problem in Gap
To: wien@zeus.theochem.tuwien.ac.at
Dear Prof.Blaha & Tran
I'm calculating electronic band structure of KTiOPO4 & isostructural
crystals by using YSPBE0(with α opt. KTP crysta
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