From owner-chemistry@ccl.net Wed Oct 31 04:52:01 2012 From: "Mikolaj Feliks mfx++mmqc.org" To: CCL Subject: CCL: Queuing system recommendations? Message-Id: <-47808-121031045050-16816-SckawE5ywiv+rksf5VhBng*_*server.ccl.net> X-Original-From: "Mikolaj Feliks" Date: Wed, 31 Oct 2012 04:50:49 -0400 Sent to CCL by: "Mikolaj Feliks" [mfx..mmqc.org] Hi Victor, I`d recommend Slurm. We use it in our lab with great success, for ORCA jobs too. https://computing.llnl.gov/linux/slurm/ I find it also easier to setup than Torque. Regards, Mikolaj On 10/31/2012 12:31 AM, Victor Rosas Garcia rosas.victor#%#gmail.com wrote: > Hello everybody, > > I'm thinking about setting up a queuing system for my cluster, but I am > really at a loss about how to choose one. I have heard about Torque and > SQS, but never used any of them. My cluster is a small, Debian-based > 32-cpu cluster with local scratch disk space for each 4-cpu box. So, I > would like to know, what do CCL'ers actually use to queue their jobs? > > My calcs use a mix of mostly GAMESS-US and GROMACS with some ORCA. Both > GAMESS and GROMACS can easily use the whole cluster, but the ORCA calcs > cannot use the whole cluster, thus the need to have them waiting for the > next available box. > > Best regards > > Victor From owner-chemistry@ccl.net Wed Oct 31 05:26:00 2012 From: "Herbert Fruchtl herbert.fruchtl() st-andrews.ac.uk" To: CCL Subject: CCL: Queuing system recommendations? Message-Id: <-47809-121031052221-29624-0v9w3FncpZbswS+Htd4IlA .. server.ccl.net> X-Original-From: Herbert Fruchtl Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Wed, 31 Oct 2012 09:16:46 +0000 MIME-Version: 1.0 Sent to CCL by: Herbert Fruchtl [herbert.fruchtl]^[st-andrews.ac.uk] For ease of installation and use, it's a toss-up between SGE (Gridengine) and Torque. I personally like the SGE GUI, but I think Torque nowadays also comes with one (haven't used it since the free version of PBS (one of them...) turned into Torque). I think both have Ubuntu (and presumably Debian) installers. SLURM is slowly catching up, but not quite as easy to install, and it has no GUI. HTH, Herbert On 30/10/12 23:31, Victor Rosas Garcia rosas.victor#%#gmail.com wrote: > Hello everybody, > > I'm thinking about setting up a queuing system for my cluster, but I am really > at a loss about how to choose one. I have heard about Torque and SQS, but never > used any of them. My cluster is a small, Debian-based 32-cpu cluster with local > scratch disk space for each 4-cpu box. So, I would like to know, what do > CCL'ers actually use to queue their jobs? > > My calcs use a mix of mostly GAMESS-US and GROMACS with some ORCA. Both GAMESS > and GROMACS can easily use the whole cluster, but the ORCA calcs cannot use the > whole cluster, thus the need to have them waiting for the next available box. > > Best regards > > Victor -- Herbert Fruchtl Senior Scientific Computing Officer School of Chemistry, School of Mathematics and Statistics University of St Andrews -- The University of St Andrews is a charity registered in Scotland: No SC013532 From owner-chemistry@ccl.net Wed Oct 31 08:00:00 2012 From: "Mikolaj Feliks mikolaj.feliks]|[gmail.com" To: CCL Subject: CCL: Queuing system recommendations? Message-Id: <-47810-121031044739-16632-G/VisG/sJND+LMVV8488qQ*o*server.ccl.net> X-Original-From: Mikolaj Feliks Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Wed, 31 Oct 2012 09:47:29 +0100 MIME-Version: 1.0 Sent to CCL by: Mikolaj Feliks [mikolaj.feliks(!)gmail.com] Hi Victor, I`d recommend Slurm. We use it in our lab with great success, for ORCA jobs too. https://computing.llnl.gov/linux/slurm/ I find it also easier to setup than Torque. Regards, Mikolaj On 10/31/2012 12:31 AM, Victor Rosas Garcia rosas.victor#%#gmail.com wrote: > Hello everybody, > > I'm thinking about setting up a queuing system for my cluster, but I am > really at a loss about how to choose one. I have heard about Torque and > SQS, but never used any of them. My cluster is a small, Debian-based > 32-cpu cluster with local scratch disk space for each 4-cpu box. So, I > would like to know, what do CCL'ers actually use to queue their jobs? > > My calcs use a mix of mostly GAMESS-US and GROMACS with some ORCA. Both > GAMESS and GROMACS can easily use the whole cluster, but the ORCA calcs > cannot use the whole cluster, thus the need to have them waiting for the > next available box. > > Best regards > > Victor From owner-chemistry@ccl.net Wed Oct 31 08:35:00 2012 From: "Andreas Klamt klamt!A!cosmologic.de" To: CCL Subject: CCL: (Co)MFA test cases for COSMOsar3D Message-Id: <-47811-121031061036-32652-ZDrWjlNuGbnrwDgijc0iSQ|*|server.ccl.net> X-Original-From: Andreas Klamt Content-Type: multipart/alternative; boundary="------------010901030202000505020208" Date: Wed, 31 Oct 2012 11:10:31 +0100 MIME-Version: 1.0 Sent to CCL by: Andreas Klamt [klamt[#]cosmologic.de] This is a multi-part message in MIME format. --------------010901030202000505020208 Content-Type: text/plain; charset=ISO-8859-15; format=flowed Content-Transfer-Encoding: 8bit Dear CCLers, we are seeking for additional test cases for our COSMOsar3D method, which we recently published in JCIM (*http://pubs.acs.org/doi/abs/10.1021/ci300231t*) Since COSMOsar3D yielded superior results in almost all cases considered by Sutherland, we would like to broaden this experience with additional cases. Hence, if you should have a recently published (Co)MFA study and can provide us with the aligned ligand structures and activity data, then we would be willing to run them though COSMOsar3D and report the resulting. Looking forward to a fruitful collaboration Andreas -- Prof. Dr. Andreas Klamt CEO / Geschäftsführer COSMOlogic GmbH & Co. KG Burscheider Strasse 515 D-51381 Leverkusen, Germany phone +49-2171-731681 fax +49-2171-731689 e-mail klamt(~)cosmologic.de web www.cosmologic.de [University address: Inst. of Physical and Theoretical Chemistry, University of Regensburg] Join us at the 4th-COSMO-RS-Symposium April 2013 Details at www.cosmologic.de/symposium2013 HRA 20653 Amtsgericht Koeln, GF: Prof. Dr. Andreas Klamt Komplementaer: COSMOlogic Verwaltungs GmbH HRB 49501 Amtsgericht Koeln, GF: Prof. Dr. Andreas Klamt --------------010901030202000505020208 Content-Type: text/html; charset=ISO-8859-15 Content-Transfer-Encoding: 8bit Dear CCLers,

we are seeking for additional test cases for our COSMOsar3D method, which we recently published in JCIM (http://pubs.acs.org/doi/abs/10.1021/ci300231t)
Since COSMOsar3D yielded superior results in almost all cases considered by Sutherland, we would like to broaden this experience with additional cases. Hence, if you should have a recently published (Co)MFA study and can provide us with the aligned ligand structures and activity data, then we would be willing to run them though COSMOsar3D and report the resulting.

Looking forward to a fruitful collaboration

Andreas


-- 
Prof. Dr. Andreas Klamt
CEO / Geschäftsführer
COSMOlogic GmbH & Co. KG
Burscheider Strasse 515
D-51381 Leverkusen, Germany

phone  	+49-2171-731681
fax    	+49-2171-731689
e-mail 	klamt(~)cosmologic.de
web    	www.cosmologic.de

[University address:      Inst. of Physical and
Theoretical Chemistry, University of Regensburg]

Join us at the 4th-COSMO-RS-Symposium April 2013
Details at www.cosmologic.de/symposium2013 

HRA 20653 Amtsgericht Koeln, GF: Prof. Dr. Andreas Klamt
Komplementaer: COSMOlogic Verwaltungs GmbH
HRB 49501 Amtsgericht Koeln, GF: Prof. Dr. Andreas Klamt


--------------010901030202000505020208-- From owner-chemistry@ccl.net Wed Oct 31 12:36:00 2012 From: "Olasunkanmi Lukman Olawale walecomuk(_)yahoo.co.uk" To: CCL Subject: CCL: Software for Ab initio DFT calculations Message-Id: <-47812-121031113011-12223-2Eoq11JL2Tz8fvtKMoZ9kg]*[server.ccl.net> X-Original-From: Olasunkanmi Lukman Olawale Content-Type: multipart/alternative; boundary="862858767-1860417185-1351697400=:31294" Date: Wed, 31 Oct 2012 15:30:00 +0000 (GMT) MIME-Version: 1.0 Sent to CCL by: Olasunkanmi Lukman Olawale [walecomuk * yahoo.co.uk] --862858767-1860417185-1351697400=:31294 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable Dear Subscribers,=0ADoes anyone know the source of a freeware that can perf= orm Ab initio and/or DFT calculations.=0AI will prefer WINDOWS based applic= ations.=0AThank you in anticipation of your responses.=0A=0A=0A=A0=0AOlasun= kanmi Lukman Olawale=0A________________________________=0ACurrent Address:= =0ADepartment of Chemistry,=0AObafemi Awolowo University,=0AIle-Ife, Osun S= tate.=0ANigeria.=0A=0A+234-0-80-52401564 Or +234-0-80-67161091=0A__________= ______________________ --862858767-1860417185-1351697400=:31294 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable
Dear Subsc= ribers,
Does anyone know the source of a freeware th= at can perform Ab initio and/or DFT calculations.
I = will prefer WINDOWS based applications.
Thank you in= anticipation of your responses.
&= nbsp;
Olasunkanmi Lukman Olawale

Current Address:<= /span>
Department= of Chemistry,
<= span style=3D"color:rgb(0, 0, 191);font-weight:bold;">Obafemi Awolowo Unive= rsity,

Ile-Ife, Osun State.Nigeria.
+234-0-80-52401564 Or +234-0-80-67161091

--862858767-1860417185-1351697400=:31294-- From owner-chemistry@ccl.net Wed Oct 31 13:47:00 2012 From: "Nuno A. G. Bandeira nuno.bandeira],[ist.utl.pt" To: CCL Subject: CCL: Software for Ab initio DFT calculations Message-Id: <-47813-121031132651-8600-VhNmGboHLN930wKmeW9Pfg]_[server.ccl.net> X-Original-From: "Nuno A. G. Bandeira" Content-Type: multipart/alternative; boundary="------------000201020702000602080605" Date: Wed, 31 Oct 2012 17:26:35 +0000 MIME-Version: 1.0 Sent to CCL by: "Nuno A. G. Bandeira" [nuno.bandeira||ist.utl.pt] --------------000201020702000602080605 Content-Type: text/plain; charset="ISO-8859-1"; format=flowed Content-Transfer-Encoding: 8bit On 31/10/2012 15:30, Olasunkanmi Lukman Olawale walecomuk(_)yahoo.co.uk wrote: > Dear Subscribers, > Does anyone know the source of a freeware that can perform Ab initio > and/or DFT calculations. > I will prefer WINDOWS based applications. > Thank you in anticipation of your responses. > * ORCA (http://www.thch.uni-bonn.de/tc/orca/) * GAMESS (http://www.msg.ameslab.gov/gamess/download.html) * NWChem (http://www.nwchem-sw.org/index.php/Main_Page) The latter you'll need to compile in the cygwin environment. Best, Nuno -- Nuno A. G. Bandeira, AMRSC C8 - Centro de Química e Bioquímica FCUL, Campo Grande Lisbon 1749-016 PORTUGAL http://www.researcherid.com/rid/B-6399-2012 http://pt.linkedin.com/pub/nuno-a-g-bandeira/47/55a/2aa -- --------------000201020702000602080605 Content-Type: text/html; charset="ISO-8859-1" Content-Transfer-Encoding: 7bit
On 31/10/2012 15:30, Olasunkanmi Lukman Olawale walecomuk(_)yahoo.co.uk wrote:
Dear Subscribers,
Does anyone know the source of a freeware that can perform Ab initio and/or DFT calculations.
I will prefer WINDOWS based applications.
Thank you in anticipation of your responses.


* ORCA (http://www.thch.uni-bonn.de/tc/orca/)
* GAMESS (http://www.msg.ameslab.gov/gamess/download.html)
* NWChem (http://www.nwchem-sw.org/index.php/Main_Page)

The latter you'll need to compile in the cygwin environment.

Best,
Nuno

-- 
Nuno A. G. Bandeira, AMRSC  
C8 - Centro de Química e Bioquímica
FCUL, Campo Grande 
Lisbon 1749-016 
PORTUGAL
http://www.researcherid.com/rid/B-6399-2012
http://pt.linkedin.com/pub/nuno-a-g-bandeira/47/55a/2aa
--

--------------000201020702000602080605-- From owner-chemistry@ccl.net Wed Oct 31 14:22:00 2012 From: "Van Dam, Hubertus J HubertusJJ.vanDam++pnnl.gov" To: CCL Subject: CCL: Software for Ab initio DFT calculations Message-Id: <-47814-121031140419-26987-0tFv51qqBqFNbwGKri6+Tg(~)server.ccl.net> X-Original-From: "Van Dam, Hubertus J" Content-Language: en-US Content-Type: multipart/alternative; boundary="_000_FDD09CBD8676AE40957DCDAD24E9627A01912DE934F7EMAIL04pnlg_" Date: Wed, 31 Oct 2012 11:04:12 -0700 MIME-Version: 1.0 Sent to CCL by: "Van Dam, Hubertus J" [HubertusJJ.vanDam,,pnnl.gov] --_000_FDD09CBD8676AE40957DCDAD24E9627A01912DE934F7EMAIL04pnlg_ Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: quoted-printable Hi Olasunkanmi, I am not sure how strictly you view your preference for WINDOWS. If CYGWIN = is an acceptable platform for you then NWChem should do the trick. The late= st development snapshots should build no problem under CYGWIN and can be ob= tained from http://www.nwchem-sw.org/index.php/Download (to build run: cd n= wchem-src-2012-Oct-02; ./contrib/distro-tools/build_nwchem). If you have an= y questions, please do not hesitate to ask. Good luck, Huub van Dam Pacific Northwest National Laboratory Tel: 509-372-6441 > From: owner-chemistry+hubertus.vandam=3D=3Dpnnl.gov/./ccl.net [mailto:owner-chemistry+hube= rtus.vandam=3D=3Dpnnl.gov/./ccl.net] On Behalf Of Olasunkanmi Lukman Olawale = walecomuk(_)yahoo.co.uk Sent: Wednesday, October 31, 2012 8:30 AM To: Van Dam, Hubertus J Subject: CCL: Software for Ab initio DFT calculations Dear Subscribers, Does anyone know the source of a freeware that can perform Ab initio and/or= DFT calculations. I will prefer WINDOWS based applications. Thank you in anticipation of your responses. Olasunkanmi Lukman Olawale ________________________________ Current Address: Department of Chemistry, Obafemi Awolowo University, Ile-Ife, Osun State. Nigeria. +234-0-80-52401564 Or +234-0-80-67161091 ________________________________ --_000_FDD09CBD8676AE40957DCDAD24E9627A01912DE934F7EMAIL04pnlg_ Content-Type: text/html; charset="us-ascii" Content-Transfer-Encoding: quoted-printable

Hi Olasun= kanmi,

 

I am not s= ure how strictly you view your preference for WINDOWS. If CYGWIN is an acce= ptable platform for you then NWChem should do the trick. The latest develop= ment snapshots should build no problem under CYGWIN and can be obtained fro= m http://www.nwchem= -sw.org/index.php/Download (to build run: cd nwchem-src-2= 012-Oct-02; ./contrib/distro-tools/build_nwchem). If you have= any questions, please do not hesitate to ask.

 

Good luck,

 <= /o:p>

Huub van Dam
Pacif= ic Northwest National Laboratory

Tel:  50= 9-372-6441


 

From: owner-chemistry+hubertus.vandam=3D=3Dpnnl.gov/./ccl.net [mailto:o= wner-chemistry+hubertus.vandam=3D=3Dpnnl.gov/./ccl.net] On Behalf Of <= /b>Olasunkanmi Lukman Olawale walecomuk(_)yahoo.co.uk
Sent: Wedne= sday, October 31, 2012 8:30 AM
To: Van Dam, Hubertus J
Subj= ect: CCL: Software for Ab initio DFT calculations

=

 

Dear Subsc= ribers,

Does anyone know the source of a freeware that can perform Ab= initio and/or DFT calculations.

I will prefer WINDOWS based applic= ations.

Thank you in anticipation of your responses.

 

Olasunkanmi Luk= man Olawale


Current Address:Department of Chemistry,
Obafe= mi Awolowo University,
Ile-Ife, Osun State.
Nigeria.

+234-0-80-52401564 Or +234-0-80-67161091


<= /div>= --_000_FDD09CBD8676AE40957DCDAD24E9627A01912DE934F7EMAIL04pnlg_-- From owner-chemistry@ccl.net Wed Oct 31 14:58:00 2012 From: "Jim Kress ccl_nospam : kressworks.com" To: CCL Subject: CCL: Software for Ab initio DFT calculations Message-Id: <-47815-121031145035-26292-XstHcwdN24DNtskT8AFyAw###server.ccl.net> X-Original-From: "Jim Kress" Content-Language: en-us Content-Type: multipart/alternative; boundary="----=_NextPart_000_008F_01CDB777.0FA75C30" Date: Wed, 31 Oct 2012 14:50:25 -0400 MIME-Version: 1.0 Sent to CCL by: "Jim Kress" [ccl_nospam]=[kressworks.com] This is a multipart message in MIME format. ------=_NextPart_000_008F_01CDB777.0FA75C30 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: 7bit Firefly http://classic.chem.msu.su/gran/gamess/index.html Jim > From: owner-chemistry+ccl_nospam==kressworks.com+*+ccl.net [mailto:owner-chemistry+ccl_nospam==kressworks.com+*+ccl.net] On Behalf Of Olasunkanmi Lukman Olawale walecomuk(_)yahoo.co.uk Sent: Wednesday, October 31, 2012 11:30 AM To: Kress, Jim Subject: CCL: Software for Ab initio DFT calculations Dear Subscribers, Does anyone know the source of a freeware that can perform Ab initio and/or DFT calculations. I will prefer WINDOWS based applications. Thank you in anticipation of your responses. Olasunkanmi Lukman Olawale _____ Current Address: Department of Chemistry, Obafemi Awolowo University, Ile-Ife, Osun State. Nigeria. +234-0-80-52401564 Or +234-0-80-67161091 _____ ------=_NextPart_000_008F_01CDB777.0FA75C30 Content-Type: text/html; charset="us-ascii" Content-Transfer-Encoding: quoted-printable

Firefly http://classic= .chem.msu.su/gran/gamess/index.html

 

Jim

 

From:= = owner-chemistry+ccl_nospam=3D=3Dkressworks.com+*+ccl.net = [mailto:owner-chemistry+ccl_nospam=3D=3Dkressworks.com+*+ccl.net] On = Behalf Of Olasunkanmi Lukman Olawale = walecomuk(_)yahoo.co.uk
Sent: Wednesday, October 31, 2012 = 11:30 AM
To: Kress, Jim
Subject: CCL: = Software for Ab initio DFT = calculations

 

Dear = Subscribers,

Does anyone know the source of a freeware that can = perform Ab initio and/or DFT = calculations.

I will prefer WINDOWS based = applications.

Thank you in anticipation of your = responses.

 

Olasunkanmi Lukman Olawale


Current = Address:
Department of Chemistry,
Obafemi Awolowo = University,
Ile-Ife, Osun State.
Nigeria.

+234-0-80-52401564 Or = +234-0-80-67161091


------=_NextPart_000_008F_01CDB777.0FA75C30-- From owner-chemistry@ccl.net Wed Oct 31 15:45:01 2012 From: "Tymofii Nikolaienko tim_mail*_*ukr.net" To: CCL Subject: CCL: Software for Ab initio DFT calculations Message-Id: <-47816-121031145743-31995-EKAO+3Nd3yugQbCOoFA3uw(~)server.ccl.net> X-Original-From: Tymofii Nikolaienko Content-Type: multipart/alternative; boundary="------------030305040802060402000504" Date: Wed, 31 Oct 2012 20:58:13 +0200 MIME-Version: 1.0 Sent to CCL by: Tymofii Nikolaienko [tim_mail=ukr.net] This is a multi-part message in MIME format. --------------030305040802060402000504 Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 8bit The binaries of NwChem 6.0 compiled for 32-bit Windows under Cygwin are available at http://timn.ho.ua/ccs and Windows-compatible the 6.1.1 version of NwChem is coming soon... 31.10.2012 19:26, Nuno A. G. Bandeira nuno.bandeira],[ist.utl.pt wrote: > On 31/10/2012 15:30, Olasunkanmi Lukman Olawale > walecomuk(_)yahoo.co.uk wrote: >> Dear Subscribers, >> Does anyone know the source of a freeware that can perform Ab initio >> and/or DFT calculations. >> I will prefer WINDOWS based applications. >> Thank you in anticipation of your responses. >> > > * ORCA (http://www.thch.uni-bonn.de/tc/orca/) > * GAMESS (http://www.msg.ameslab.gov/gamess/download.html) > * NWChem (http://www.nwchem-sw.org/index.php/Main_Page) > > The latter you'll need to compile in the cygwin environment. > > Best, > Nuno > > -- > Nuno A. G. Bandeira, AMRSC > C8 - Centro de Química e Bioquímica > FCUL, Campo Grande > Lisbon 1749-016 > PORTUGAL > http://www.researcherid.com/rid/B-6399-2012 > http://pt.linkedin.com/pub/nuno-a-g-bandeira/47/55a/2aa > -- > --------------030305040802060402000504 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit The binaries of NwChem 6.0 compiled for 32-bit Windows under Cygwin are available at http://timn.ho.ua/ccs
and Windows-compatible the 6.1.1 version of NwChem is coming soon...


31.10.2012 19:26, Nuno A. G. Bandeira nuno.bandeira],[ist.utl.pt wrote:
On 31/10/2012 15:30, Olasunkanmi Lukman Olawale walecomuk(_)yahoo.co.uk wrote:
Dear Subscribers,
Does anyone know the source of a freeware that can perform Ab initio and/or DFT calculations.
I will prefer WINDOWS based applications.
Thank you in anticipation of your responses.


* ORCA (http://www.thch.uni-bonn.de/tc/orca/)
* GAMESS (http://www.msg.ameslab.gov/gamess/download.html)
* NWChem (http://www.nwchem-sw.org/index.php/Main_Page)

The latter you'll need to compile in the cygwin environment.

Best,
Nuno

-- 
Nuno A. G. Bandeira, AMRSC  
C8 - Centro de Química e Bioquímica
FCUL, Campo Grande 
Lisbon 1749-016 
PORTUGAL
http://www.researcherid.com/rid/B-6399-2012
http://pt.linkedin.com/pub/nuno-a-g-bandeira/47/55a/2aa
--

--------------030305040802060402000504-- From owner-chemistry@ccl.net Wed Oct 31 22:32:00 2012 From: "Daniele Gianni daniele.gianni(-)gmail.com" To: CCL Subject: CCL: *** Extended Deadline *** Nov 19 CfP: 3rd International Workshop on Model-driven Approaches for Simulation Engineering (Mod4Sim13) part of the Symposium on Theory of Modeling and Simulation SCS SpringSim 2013) Message-Id: <-47817-121031194115-13010-j6PmGBbp8XVVIT09Z0ATZA++server.ccl.net> X-Original-From: Daniele Gianni Content-Type: multipart/alternative; boundary=485b397dcfb5db76ea04cd636f6d Date: Thu, 1 Nov 2012 00:41:08 +0100 MIME-Version: 1.0 Sent to CCL by: Daniele Gianni [daniele.gianni:-:gmail.com] --485b397dcfb5db76ea04cd636f6d Content-Type: text/plain; charset=windows-1252 Content-Transfer-Encoding: quoted-printable (Please accept our apologies if you receive multiple copies of this CFP) ################################################################# CALL FOR PAPERS 3rd International Workshop on Model-driven Approaches for Simulation Engineering part of the Symposium on Theory of Modeling and Simulation (SCS SpringSim 2013) in technical cooperation with INCOSE San Diego Chapter ################################################################# April 7-10, 2013, San Diego, CA (USA) http://www.sel.uniroma2.it/Mod4Sim13 ################################################################# # Papers Due: *** November 19, 2012 *** Extended ***** # Accepted papers will be published in the conference proceedings # and archived in the ACM Digital Library. ################################################################# The workshop aims to bring together experts in model-based, model-driven and software engineering with experts in simulation methods and simulation practitioners, with the objective to advance the state of the art in model-driven simulation engineering. Model-driven engineering approaches provide considerable advantages to software systems engineering activities through the provision of consistent and coherent models at different abstraction levels. As these models are in a machine readable form, model-driven engineering approaches can also support the exploitation of computing capabilities for model reuse, programming code generation, and model checking, for example. The definition of a simulation model, its software implementation and its execution platform form what is known as simulation engineering. As simulation systems are mainly based on software, these systems can similarly benefit from model-driven approaches to support automatic software generation, enhance software quality, and reduce costs, development effort and time-to-market. Similarly to systems and software engineering, simulation engineering can exploit the capabilities of model-driven approaches by increasing the abstraction level in simulation model specifications and by automating the derivation of simulator code. Further advantages can be gained by using modeling languages, such as UML and SysML =96 but not exclusively those. Fo= r example, modeling languages can be used for descriptive modeling (to describe the system to be simulated), for analytical modeling (to specify analytically the simulation of the same system), and for implementation modeling (to define the respective simulator). A partial list of topics of interest includes: * model-driven simulation engineering processes * requirements modeling for simulation * domain specific languages for modeling and simulation * model transformations for simulation model building * model transformations for simulation model implementation * model-driven engineering of distributed simulation systems * relationship between metamodeling standards (e.g., MOF, Ecore) and distributed simulation standards (e.g., HLA, DIS) * metamodels for simulation reuse and interoperability * model-driven technologies for different simulation paradigms (discrete event simulation, multi-agent simulation, sketch-based * simulation, etc.) * model-driven methods and tools for performance engineering of simulation systems * simulation tools for model-driven software performance engineering * model-driven technologies for simulation verification and validation * model-driven technologies for data collection and analysis * model-driven technologies for simulation visualization * Executable UML * Executable Architectures * SysML / Modelica integration * Simulation Model Portability and reuse * model-based systems verification and validation * simulation for model-based systems engineering To stimulate creativity, however, the workshop maintains a wider scope and welcomes contributions offering original perspectives on model-driven engineering of simulation systems. +++++++++++++++++++++++++++++++++++ On-Line Submissions and Publication +++++++++++++++++++++++++++++++++++ We invite paper submissions in three forms: 1. Full paper (max 8 pages), describing innovative research results. These papers are eligible for the best paper award and may be invited for an extended version in a special issue of the SCS SIMULATION journal. 2. Work-in-progress paper (max 6 pages), describing novel research ideas and promising work that have not yet been fully evaluated. 3. Short paper (max 6 pages), describing industrial and hands-on experience on any relevant area (i.e. military, government, space, etc.). All the papers must be submitted through the SCS conference management systems (http://www.softconf.com/scs/DEVS13/) and select the Mod4Sim track. The submissions must be in PDF format and conform to the SCS conference template (Word template is available at http://www.scs.org/upload/documents/templates/ConferenceSubmissionWORDTempl= ate.doc, guidelines are available at http://www.scs.org/PDFs/formattingkit.pdf). All the submitted papers must be original and not submitted else where. Submitted papers will be peer reviewed with respect to their quality, originality and relevance. The authors of the accepted papers must register in advance for inclusion of their paper in the conference proceedings. Authors of accepted papers will be invited to update their papers basing on the reviews, before providing the camera ready. All accepted papers will be included in the conference proceedings and archived in both the ACM Digital Library and IEEE Digital Library. Authors may contact the organizers for expression of interest and content appropriateness at any time. +++++++++++++++ Important Dates +++++++++++++++ * Submission Deadline: November 19, 2012 *** Extended *** * Decision to paper authors: January 10, 2013 * Camera ready due: February 5, 2013 * Conference dates: April 7-10, 2013 ++++++++++++++++++++ Organizing Committee ++++++++++++++++++++ * Andrea D'Ambrogio - University of Rome TorVergata, Italy * Daniele Gianni - European Space Agency, The Netherlands +++++++++++++++++ Program Committee +++++++++++++++++ * Steffen Becker - University of Paderborn, Germany * Paolo Bocciarelli - University of Rome TorVergata, Italy * David Chen - Univeristy of Bordeaux I, France * Cristian Englert - Serco, The Netherlands * Huascar Espinoza - European Software Institute and Tecnalia, Spain * Paul A. Fishwick - University of Florida, USA * Carlos Juiz - University of Balearic Islands, Spain * Cristiano Leorato - Rhea, The Netherlands * Steve McKeever - University of Oxford, UK * Halit Oguzt=FCz=FCn - Middle East Technical University, Turkey * Andreas Tolk - Old Dominion University, USA * Hans Vangheluwe - University of Antwerp, Belgium and McGill University, Canada * Anthony Walsh - European Space Agency, Germany * Heming Zhang - Tsinghua University, China *** Contact Information *** Andrea D'Ambrogio and Daniele Gianni (workshop co-chairs) Emails: dambro[a]uniroma2.it and danielegmail-mod4sim[a]yahoo.it --485b397dcfb5db76ea04cd636f6d Content-Type: text/html; charset=windows-1252 Content-Transfer-Encoding: quoted-printable
(Please accept our apologies if you receive multiple copies of this CF= P)

###############################################= ##################
= =A0 =A0 =A0 CALL FOR PAPERS

=A0 =A0 =A0 =A0 =A0 = =A0 =A0 =A0 =A03rd International Workshop on
=A0 =A0 =A0 =A0 Mode= l-driven Approaches for Simulation Engineering
=A0 =A0 part of the Symposium on Theory of Modeling and Simulation
=A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0(SCS SpringSim 2013) =A0= =A0

=A0 =A0 =A0 =A0 =A0 in technical cooperation with=A0
=A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 INCOSE San Diego Chapter
=A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0=A0
#####################= ############################################

April= 7-10, 2013, San Diego, CA (USA)

##############################= ###################################
# Papers Due: *** November 19= , 2012 *** Extended *****
# Accepted papers will be published in the conference proceedings
# and archived in the ACM Digital Library.
################= #################################################

The workshop aims to bring together experts in model-based, model-driven an= d software engineering with experts in simulation methods and simulation pr= actitioners, with the objective to advance the state of the art in model-dr= iven simulation engineering.=A0

Model-driven engineering approaches provide considerabl= e advantages to software systems engineering activities through the provisi= on of consistent and coherent models at different abstraction levels. As th= ese models are in a machine readable form, model-driven engineering approac= hes can also support the exploitation of computing capabilities for model r= euse, programming code generation, and model checking, for example.=A0

The definition of a simulation model, its software impl= ementation and its execution platform form what is known as simulation engi= neering. As simulation systems are mainly based on software, these systems = can similarly benefit from model-driven approaches to support automatic sof= tware generation, enhance software quality, and reduce costs, development e= ffort and time-to-market.=A0

Similarly to systems and software engineering, simulati= on engineering can exploit the capabilities of model-driven approaches by i= ncreasing the abstraction level in simulation model specifications and by a= utomating the derivation of simulator code. Further advantages can be gaine= d by using modeling languages, such as UML and SysML =96 but not exclusivel= y those. For example, modeling languages can be used for descriptive modeli= ng (to describe the system to be simulated), for analytical modeling (to sp= ecify analytically the simulation of the same system), and for implementati= on modeling (to define the respective simulator).=A0

A partial list of topics of interest includes:=A0
=

* model-driven simulation engineering processes=A0
* requirements modeling for simulation=A0
* domain specific= languages for modeling and simulation=A0
* model transformations for simulation model building=A0
* m= odel transformations for simulation model implementation=A0
* mod= el-driven engineering of distributed simulation systems=A0
* rela= tionship between metamodeling standards (e.g., MOF, Ecore) and distributed = simulation standards (e.g., HLA, DIS)=A0
* metamodels for simulation reuse and interoperability=A0
* = model-driven technologies for different simulation paradigms (discrete even= t simulation, multi-agent simulation, sketch-based * simulation, etc.)=A0
* model-driven methods and tools for performance engineering of simula= tion systems=A0
* simulation tools for model-driven software perf= ormance engineering=A0
* model-driven technologies for simulation= verification and validation=A0
* model-driven technologies for data collection and analysis=A0
<= div>* model-driven technologies for simulation visualization=A0
*= Executable UML=A0
* Executable Architectures=A0
* SysM= L / Modelica integration=A0
* Simulation Model Portability and reuse=A0
* model-based sy= stems verification and validation=A0
* simulation for model-based= systems engineering=A0

To stimulate creativity, h= owever, the workshop maintains a wider scope and welcomes contributions off= ering original perspectives on model-driven engineering of simulation syste= ms.=A0

+++++++++++++++++++++++++++++++++++
On-Line S= ubmissions and Publication
+++++++++++++++++++++++++++++++++++

We invite paper submissions in three forms:

1. Full paper (max 8 pages), describing innovative rese= arch results. These papers are eligible for the best paper award and may be= invited for an extended version in a special issue of the SCS SIMULATION j= ournal.
2. Work-in-progress paper (max 6 pages), describing novel research ide= as and promising work that have not yet been fully evaluated.
3. = Short paper (max 6 pages), describing industrial and hands-on experience on= any relevant area (i.e. military, government, space, etc.).

All the papers must be submitted through the SCS confer= ence management systems (ht= tp://www.softconf.com/scs/DEVS13/) and select the Mod4Sim track. The su= bmissions must be in PDF format and conform to the SCS conference template = (Word template is available at http://www.scs.org/uploa= d/documents/templates/ConferenceSubmissionWORDTemplate.doc , guidelines= are available at htt= p://www.scs.org/PDFs/formattingkit.pdf). All the submitted papers must = be original and not submitted else where. Submitted papers will be peer rev= iewed with respect to their quality, originality and relevance. The authors= of the accepted papers must register in advance for inclusion of their pap= er in the conference proceedings. Authors of accepted papers will be invite= d to update their papers basing on the reviews, before providing the camera= ready.

All accepted papers will be included in the conference = proceedings and archived in both the ACM Digital Library and IEEE Digital L= ibrary.=A0

Authors may contact the organizers for = expression of interest and content appropriateness at any time.=A0

+++++++++++++++
Important Dates
+++= ++++++++++++

=A0* Submission Deadline: November 19= , 2012 *** Extended ***
=A0* Decision to paper authors: January 1= 0, 2013
=A0* Camera ready due: February 5, 2013
=A0* Conference date= s: April 7-10, 2013

++++++++++++++++++++
Organizing Committee
++++++++++++++++++++

=A0* Andrea D'Ambrogio - University of Rome TorVergata, Italy
=A0* Daniele Gianni - European Space Agency, The Netherlands
+++++++++++++++++
Program Committee
+++++++= ++++++++++

=A0* Steffen Becker - University of Paderborn, Germany<= /div>
=A0* Paolo Bocciarelli - University of Rome TorVergata, Italy
=A0* David Chen - Univeristy of Bordeaux I, France
=A0* Cr= istian Englert - Serco, The Netherlands
=A0* Huascar Espinoza - European Software Institute and Tecnalia, Spai= n
=A0* Paul A. Fishwick - University of Florida, USA
= =A0* Carlos Juiz - University of Balearic Islands, Spain
=A0* Cri= stiano Leorato - Rhea, The Netherlands
=A0* Steve McKeever - University of Oxford, UK
=A0* Halit Og= uzt=FCz=FCn - Middle East Technical University, Turkey
=A0* Andre= as Tolk - Old Dominion University, USA
=A0* Hans Vangheluwe - Uni= versity of Antwerp, Belgium and McGill University, Canada
=A0* Anthony Walsh - European Space Agency, Germany
=A0* Hem= ing Zhang - Tsinghua University, China


<= div>*** Contact Information ***
Andrea D'Ambrogio and Daniele= Gianni (workshop co-chairs)

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