From owner-chemistry@ccl.net Fri Aug 1 04:29:02 2008 From: "may abdelghani may01dz|a|yahoo.fr" To: CCL Subject: CCL:G: Re : CCL:G: Duel cords processors and parallel calculations Message-Id: <-37473-080801041807-19065-mQgbazzxsHxkiqSAsLLzkw#,#server.ccl.net> X-Original-From: may abdelghani Content-Type: multipart/alternative; boundary="0-297812393-1217578665=:67095" Date: Fri, 1 Aug 2008 08:17:45 +0000 (GMT) MIME-Version: 1.0 Sent to CCL by: may abdelghani [may01dz|yahoo.fr] --0-297812393-1217578665=:67095 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: quoted-printable sir, This a small description on the code that I want to used in my calculation: =E2=80=9CStarting from ADF2007.01, the Windows version of ADF comes bundled with the HP-MPI runtime environment. This means that y= ou can run parallel ADF jobs on your brand new multi-core Windows machine. By default, if the NSCM environment variable is not defined, ADF will use all logical processors present in the system. To avoid this, you need to set NS= CM to 1. You can do this permanently by adding NSCM with the value 1 to the li= st of environment variables or on the per-queue basis putting "export NSCM=3D1" (without quotes) in the prolog field of the corresponding queue i= n ADFjobs. Moreover, you can define two local queues in ADFjobs: one for seri= al and one for parallel jobs. The queues may be called, for example, serial an= d parallel. You would then need to change the prolog value for the serial que= ue only=E2=80=9D --- En date de : Jeu 31.7.08, Herbert Fruchtl herbert.fruchtl^st-andrews.ac= .uk a =C3=A9crit : De: Herbert Fruchtl herbert.fruchtl^st-andrews.ac.uk Objet: CCL:G: Duel cords processors and parallel calculations =C3=80: "Abdelghani, May " Date: Jeudi 31 Juillet 2008, 11h54 Sent to CCL by: Herbert Fruchtl [herbert.fruchtl#,#st-andrews.ac.uk] It would help to know WHAT you want to do in parallel. To use several=20 cores at the same time, you need to 1) Write the program for parallel execution 2) Compile the program for parallel execution 3) Run it in parallel. If you have a parallel executable, i.e. 1) and 2) are taken care of,=20 this leaves you with 3), which depends on the parallelization method=20 (and the operating system). - If it's Gaussian, you need %NProcShared=3D2 in the input. - If it's another OpenMP program, you have to set the environment=20 variable OMP_NUM_THREADS (it depends on the OS how you do that). - If it's an MPI program, you need to run it via a parallel startup=20 program (in most implementations this is called mpirun, but the syntax=20 may vary. RTFM!). - If it's yet another parallelization method (PVM, GA, ...), RTFM! But=20 since anybody who can't be bothered to mention his program is using=20 Gaussian anyway... Herbert may abdelghani may01dz*|*yahoo.fr wrote: > dear CCLers, > In any calculations, a duel core processors, using only one core for=20 > this calculation, whereas the second rest inactive. I ask if it is any=20 > possibility to help the tow cores of my processor to sharing a one=20 > calculation, like what we do in the parallel calculations (both cores do= =20 > a one task in the same time). > Thanks > =20 >=20 >=20 >=20 >=20 >=20 >=20 >=20 > ------------------------------------------------------------------------ > Envoy=C3=A9 avec Yahoo! Mail=20 > . > Une boite mail plus intelligente. --=20 Herbert Fruchtl EaStCHEM Fellow School of Chemistry University of St Andrews -- The University of St Andrews is a charity registered in Scotland: No SC013532 -=3D This is automatically added to each message by the mailing script =3D-http://www.ccl.net/cgi-bin/ccl/send_ccl_messageSubscribe/Unsubscribe:=20Job: http://www.ccl.net/jobs=20http://www.ccl.net/spammers.txt=0A=0A=0A ___= __________________________________________________________________________ = =0AEnvoyez avec Yahoo! Mail. Une boite mail plus intelligente http://mail.y= ahoo.fr --0-297812393-1217578665=:67095 Content-Type: text/html; charset=utf-8 Content-Transfer-Encoding: quoted-printable

sir, This a small description on the code that I want to used in my calculation:=


<= /span>

=E2=80=9CStarting from ADF2007.0= 1, the Windows version of ADF comes bundled with the HP-MPI runtime environment. This means that y= ou can run parallel ADF jobs on your brand new multi-core Windows machine. By default, if the NSCM environment variable is not defined, ADF will use all logical processors present in the system. To avoid this, you need to set NS= CM to 1. You can do this permanently by adding NSCM with the value 1 to the li= st of environment variables or on the per-queue basis putting "export NSCM=3D1" (without quotes) in the prolog field of the corresponding queue i= n ADFjobs. Moreover, you can define two local queues in ADFjobs: one for seri= al and one for parallel jobs. The queues may be called, for example, serial an= d parallel. You would then need to change the prolog value for the serial que= ue only=E2=80=9D



--- En date de : Jeu 31.7.08, Herbert Fruchtl herbert.fruchtl^= st-andrews.ac.uk <owner-chemistry],[ccl.net> a =C3=A9crit :<= br>
De: Herbert Fruchtl herbert.fruchtl^st-andrews.= ac.uk <owner-chemistry],[ccl.net>
Objet: CCL:G: Duel cords processor= s and parallel calculations
=C3=80: "Abdelghani, May " <may01= dz],[yahoo.fr>
Date: Jeudi 31 Juillet 2008, 11h54

Sent to C=
CL by: Herbert Fruchtl [herbert.fruchtl#,#st-andrews.ac.uk]
It would hel=
p to know WHAT you want to do in parallel. To use several 
cores at the =
same time, you need to
1) Write the program for parallel execution
2)=
 Compile the program for parallel execution
3) Run it in parallel.
If you have a parallel executable, i.e. 1) and 2) are taken care of, 
=
this
 leaves you with 3), which depends on the parallelization method 
(and t=
he operating system).
- If it's Gaussian, you need %NProcShared=3D2 in t=
he input.
- If it's another OpenMP program, you have to set the environm=
ent 
variable OMP_NUM_THREADS (it depends on the OS how you do that).- If it's an MPI program, you need to run it via a parallel startup 
pr=
ogram (in most implementations this is called mpirun, but the syntax 
ma=
y vary. RTFM!).
- If it's yet another parallelization method (PVM, GA, .=
..), RTFM! But 
since anybody who can't be bothered to mention his progr=
am is using 
Gaussian anyway...

   Herbert

may abdelghani =
may01dz*|*yahoo.fr wrote:
> dear CCLers,
> In any calculations,=
 a duel core processors, using only one core for 
> this calculation,=
 whereas the second rest inactive. I ask if it is any 
> possibility =
to help the tow cores of my processor to sharing a one 
>
 calculation, like what we do in the parallel calculations (both cores do <=
br>> a one task in the same time).
> Thanks
>  
> 
=
> 
> 
> 
> 
> 
> 
> ----------------=
--------------------------------------------------------
> Envoy=C3=
=A9 avec Yahoo! Mail 
>
<http://us.rd.yahoo.com/mailuk/taglines=
/isp/control/*http://us.rd.yahoo.com/evt=3D52423/*http://fr.docs.yahoo.com/=
mail/overview/index.html>.
> Une boite mail plus intelligente.
=

-- 
Herbert Fruchtl
EaStCHEM Fellow
School of Chemistry
Uni=
versity of St Andrews
--
The University of St Andrews is a charity re=
gistered in Scotland:
No SC013532



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=0A=0A=0A =
=0AEnvoy=C3=A9 avec Yahoo! Mail.
Une boite mail plus= intelligente. --0-297812393-1217578665=:67095--