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The ILL Theory Group

The primary research themes in the group are many body and statistical physics of condensed matter, and soft matter.

Back to ILL Homepage
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Computing Facilities in the Theory Group

(Maintained by the ILL IT Service - Helpdesk in ILL 19)


List of machines currently available in the Theory group:  

(updated August 2007)

Name

room

processor

memory

O.S.

NIS/FIS

purchased

comments

calcul

ILL19

Opteron 280 2.4GHz

4 GB

Linux 10.1

yes

2006

remote server, 64 bits, Primergy RX220Fujitsu

theory

ILL19

Intel P4 Xeon 3GHz

4 GB

Linux Suse 9.1

yes

2004

remote server

theory1

129

Intel P4 2.4 GHz

1 GB

Linux Suse 8.1

yes

2003

screen exchanged with that of theory3 (newer)

theory2

143

Intel P4 2.4 GHz

1 GB

Linux Suse 8.1

yes

2003


theory3

144

Intel P4 2.8 GHz

1 GB

Linux Suse 8.2

yes

2004

old screen of theory1 (needs to be changed?)

theory4

140

Intel P4 2.8 GHz

1 GB

Linux Suse 9.1

yes

2004


laguna

144

Intel P4


Linux Suse 9.1

yes

2002


thea

136

Intel PIII 933 Mhz

512 MB

Linux Suse 8.2

yes

2001


theory7

127

Intel P4

1 GB

Linux Suse 9.1

yes

2005


theory8

129

Intel P4

1 GB

Linux Suse 9.1

yes

2005


theory9

128

Intel P4

1 GB

Linux Suse 9.1

yes

2005


crius

128

Intel PIII 633 Mhz

256 MB

Linux Suse 8.2

yes

2000


katsmac

142

Power PC 604e

512 MB

Mac OS X10.2

no

2002


katsport


Intel PII

512 MB

Windows XP

no

2003

laptop

theory11

131

Intel P4

1 GB

Linux Suse 10.0

yes

2006


theory12

127

Intel P4

1 GB

Linux Suse 10.0

yes

2006



127

Intel P4

1 GB

Windows XP

no

2006

laptop

 

 

There are three clusters ("brick", "amd"and "fs") available in the IT Service across the road (pdf).

IP addresses  here

LOAD CHARGES of computers here

The printer is located in room 104 (same floor). The command line "lpr file_name" will work on the linux machines. It is sometimes useful to specify the printer; that is achieved by :
lpr -Plj2-cb104 file_name

 

Printer Name

room

comments

lj2-cb104

104

B&W

lc1-cb119

library, central room

Colour, transparencies

 

It is no longer possible to print transparencies in the common building.

 

 

Somer emarks

Visitors' laptops can be connected to the visitor network (blue sockets). Modern computers “usually” find the network automatically. Note that they are behind the firewall (outside the ILL).

A computer account with login and temporary password is given to every visitor on the general ILL network of computers. Upon login on a local theory group machine, all your data will be stored on a remote computer and backed up regularly and automatically  (every other day at midnight (?)).  

 

All the machines run Linux (see above; we also use remote machines in the computer centre across the road for more demanding calculations, such as “chania”, or “lapaz” accessible with ssh, e.g.  “ssh chania”).

A remote Windows server can be launched after logging in (inside the  Linux environment), but you will have to request an account in “ILLDOMAIN” to have access to it. (Run the command line : rdesktop -F winserver2.ill.fr). You can  make a link to your data by selecting your directory after running "\\serhom\home\th\" in Run...

Links can be made in a similar fashion to the printers above by running \\serprintpc1 and selecting the printers from the list.

 

Upon first login, the “proxies” for internet browsing need to be set up as follows : open mozilla for instance; go to “Edit”, click on “Preferences”, activate the tab “Advanced”, click on “Proxies”, click “Automatic proxy configuration URL” and type in the field below : http://proxy.ill.fr/proxy.pac

Click OK. Internet should be working now.

For any other web browsers, see http://dpt/SI/DOCS/cfg_proxy_gb.html

 

If you want confidentiality in your files, please note that you have to change the settings (by default, all the files [except emails] are visible to all the members of the theory group). If you want to change this, open Konqueror for instance (by clicking on Home in the taskbar), go to  : file:/home/th ; right-click on your name; then click on “properties”, go to the tab “Permissions” and choose from there the permissions you wish.

To connect from outside the ILL you will need an account on 'grill'. This  has to be requested at the Helpdesk. To connect to 'chania' from outside for instance, you need to go through 'grill',

i.e. do  "ssh -X -p 5023 your_login@firewall.ill.fr"

(that connects you to grill). Once you are on grill, you can connect to chania using "ssh chania". For file transfers, you can also use

"sftp -oPort=5023 your_login@firewall.ill.fr".

Warning : If you use Squirrel mail (the external mail reader - see previous page), you may be looged out automatically after 15-20 (?) minutes while writing emails, and you may lose the contents of your current email.
             

A guest account has been created on the laptop "katsport":

Login : theory
Password : ****** (please ask Efim)
Log on to : katsport (this computer)

Scientific Computing group (documentation...)


Help on computer matters :

For any help, please do not hesitate to contact us, or contact the Helpdesk at si(at)ill.fr  or by phone

(Tel. Number : 70 13  during working hours 8am-4pm).


List of software installed on the machines

Name

linux

"theory"

"calcul"

"chania"

windows

Fortran, f90, C... Portland Compiler (pgf77...)


x

x



Fortran, f90, C...

Absoft Compiler IMSL lib.




x


Fortran, C...  Generic

x

x

x

x


MATHEMATICA (2 licences)




x

x

Microsoft Office, Word, Power Point...





x







emacs (needs emacs X-11 to work), vi

x

x

x

x


Mozilla Firefox

x




x

pine

x


x

x


gv

x



x


acroread

x

x

x

x

x  (pro)

xfig

x


x

x


image magick (display)

x



x


xv

x



x


gimp

x



x


gnuplot

x


x

x


xmgrace

x


x

x


open office 1.1

x



x


latex, xdvi, dvips

x



x


pdflatex (a pdf file as output)

x



x


revtex4 (latex style of the am. phys. soc.)

x



x


K3B (to burn CDs)

x


x

x


rdesktop (needed for winserver)

x



x


Automount of USB keys

x



x

x

lpr for printing

x


x

x


glp for printing

x



x


rasmol (draws crystal structures)


x




uudeview (replaces uuencode, uudecode...)

x (all?)







------------------------------------------------------------------------------------------------------------------------------------------

Remarks on Fortran compilers

1) Portland compiler : installed on the servers theory and calcul and on the amd and brick clusters.

Documentation

f77 junk.f

To compile a fortran 90 program junk.f90, try
pgf90 junk.f90
or /usr/pgi/linux86/5.2/bin/pgf90 junk.f90

LIBRARIES see /usr/pgi/linux86/5.2/liblf and /usr/pgi/linux86/5.2/lib

To compile with the LAPACK and BLAS libraries, use
pgf90 -lacml junk.f90
acml = Amd Core Math Library

2) Absoft compiler and IMSL :

The LIBRARY IMSL is installed with the absoft compiler on chania and lapaz.

Documentations :
1) IMSL Math Lib (pdf)
2) IMSL Special Functions (pdf)
3) IMSL f90 Library (pdf)

How to Compile with the IMSL library on chania/lapaz?

f90 junk.f90 -limsl -YEXT_NAMES=LCS -YEXT_SFX=_

see www.absoft.com/Support/FAQ/linux90tfaq.html
for the FAQ

LAPACK  is not installed on chania/lapaz, but the source of the codes could be found directly in netlib :
www.netlib.org/lapack/index.html



------------------------------------------------------------------------------------------------------------------------------------------
Not so-FAQ


> Problem. The fortran 90 portland compiler does not recognize some special functions previously used on the cray.
> Solution:

Date: Thu, 1 Dec 2005 10:19:43 +0100 (CET)
From: ziman@ill.fr
Bonjour

Juste une remarque pour la conversion entre compilateurs
differents: grace a l'aide de Ron Ghosh nous avons la solution
pour trouver des fonctions intrinseques, surtout pour la manipulation
de bits et sans doute d'autres fonctions utiles:
au lieu de pgf90 utliser pghpf (hp = high performance) et
a l'interieur de program ( et chaque subroutine qui ultise
les fonctions), ajoute la ligne
     USE HPF_LIBRARY
: voir l'exemple


          program test
           USE HPF_LIBRARY
           integer*4  i,j
           i=17
            j=popcnt(i)
           print *,i,j

           stop
           end
..............
brick gg/test> pghpf -o junkp4 junk.hpf
brick gg/test> ./junkp4
           17            2
FORTRAN STOP
------------------------------------------------------------------------------------------------------------------------------------------

 

> Problem. The fortran 90 absoft compiler makes an error when one needs a large amount of memory.
> Solution:

Use the -s options when compiling or change "ulimit" (installed on chania, it is a bash command);
see www.absoft.com/Support/FAQ/linux90tfaq.html
------------------------------------------------------------------------------------------------------------------------------------------

> Pb. fortran 90 portland compiler and lapack
> Solution

Date: Wed, 1 Mar 2006 17:35:03 +0100 (CET)
From: ziman@ill.fr
Subject: Compilation amd  biblio

Bonjour

juste pour vous rappeler que pour compiler avec
le compilateur portland sur amdn, on peut avoir acces
aux biblios lapack et blas  et fft optimisees pour le processeur
en compilant avec l'option -lacml

acml = Amd  Core Math Library

exemple

pghpf -Mf90 -lacml -oa.out junk.f

tim
ps merci J-F Perrin pour son aide en trouvant cette solution

------------------------------------------------------------------------------------------------------------------------------------------

> Manipulating files

For instance:
 ' sed "s/blabla/\n/g" junk > junk1'
will substitute ("s") globally ("g") the string of characters "blabla" by nothing ("\n") in the file junk and puts the result in junk1.
see man sed.

' sed -e "/blabla/d" junk > junk1 '
will delete all blabla in junk and puts the result in junk1.

' sed "s/blabla.*//g" junk > junk1 '
will substitute globally all the lines containing some blabla by an empty line.

for instance, when there are compatibility problems with files imported from windows, and you want to remove what looks like "^M" at the end of lines. Type
' sed -e "s/^M//" junk > junk1 ' where  to obtain "^M" type CTRL V CRTL M and hold on the CTRL key.
etc...

------------------------------------------------------------------------------------------------------------------------------------------

Powerpoint
on the Windows server : A TeX macro (texpoint) has been installed for writing directly LaTeX symbols, equations in a Powerpoint presentation.
When launching Powerpoint with the macro it makes an error, simply switch off the macro, and switch it on again (go to Outils and then Macro complementaire and tick texpoint).
Go to raw.cs.berkeley.edu/texpoint/ to see how it works.

How to extract a figure from a pdf file, for instance?
1) If it is to import it in Powerpoint, just clic on the the "camera" in the toolbar of acrobat reader, and select the zone you want to import with the mouse. Then go to the
Powerpoint file and click on paste.
2) If you want to save the figure as a file (ps,jpeg,gif,...), open "xv" and "grab" it by selecting the appropriate zone. Then you can save it in any form.


Configuration of "pine"  for people using it inside the ILL:
In the setup page of pine, choose the following options:

user-domain           ill.fr
smtp-server             mail.ill.fr
inbox-path               {mail.ill.fr:143/notls/user=real_user_name}

though, sometimes, "notls/" needs to be removed!
Note:  13/01/2006 it seems that notls/ has to be removed (because of an upgrade of pine (?))!

Font problems with Mathematica :
the "numlock" key needs to be unlocked!

------------------------------------------------------------------------------------------------------------------------------------------

 

Page created by O. Cepas in nov. 2005. The html files of the webpage are located in srv/dfs/www/main/pages/science/IGroups/theory
The command "cd /srv/dfs/www/" automatically mounts that directory, but access has to be requested to the helpdesk.

updated a first time December 2006.
update on www.ill.fr, October 2007.

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