From hinsen@cnrs-orleans.fr Mon Jul 8 17:11:41 2002 Received: from saumur.cnrs-orleans.fr (saumur.cnrs-orleans.fr [163.9.6.129]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g68HBfn31176 for ; Mon, 8 Jul 2002 17:11:41 GMT Received: (from hinsen@localhost) by saumur.cnrs-orleans.fr (8.11.2/8.11.2) id g68FwNG08696; Mon, 8 Jul 2002 17:58:23 +0200 Date: Mon, 8 Jul 2002 17:58:23 +0200 Message-Id: <200207081558.g68FwNG08696@saumur.cnrs-orleans.fr> X-Authentication-Warning: saumur.cnrs-orleans.fr: hinsen set sender to hinsen@cnrs-orleans.fr using -f From: Konrad Hinsen To: fsatom-comm@tddft.org CC: gonze@pcpm.ucl.ac.be CC: zerah@bruyeres.cea.fr, gonze@pcpm.ucl.ac.be, kwj@fysik.dtu.dk, martyna@us.ibm.com, ceperley@uiuc.edu, spoel@xray.bmc.uu.se, kale@cs.uiuc.edu, marques@teor.fis.uc.pt, mmaresch@cecam.fr In-reply-to: <3D249718.5010407@pcpm.ucl.ac.be> (message from Xavier Gonze on Thu, 04 Jul 2002 20:42:32 +0200) References: <3D249718.5010407@pcpm.ucl.ac.be> Subject: [Fsatom-comm] Re: Proposal of "Basic text" Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: > Here is a first version of the "Basic text" > of the FS Atom association.It is formatted as simple text. > Any critics, comment, suggestion, addition, is welcome ! See below... I am also using this opportunity to test our new mailing list, if all goes well, everyone should receive two copies of this mail. > The advent of rapid means of exchange of software, has helped > the spread of so-called ``Free Software'' (free for freedom, not price), > generally distributed under the GNU licensing scheme. I am not sure that "generally" is true, there are popular "more open" licensing schemes (e.g. BSD) as well. I also think that the term "OpenSource" should be mentioned. BTW, on the EuroPython conference I learned a bit more about the "Free Software" vs. "OpenSource" debate. We had Eric Raymond there, the inventor of the term OpenSource, who explained why it's better than "Free Software". Others then told me that the origin of discussion is simply that Richard Stallman (founder of the FSF) and Eric Raymond can't stand each other and each want to become the definitive authority on free/open software issues. I think we should stay out of this as much as possible. > 2) The purpose of the FSAtom association We are not an association in the legal sense. In fact, we aren't anything in a legal sense at the moment. I propose a more neutral term (perhaps "project") to avoid misunderstandings. All the rest looks fine to me. Konrad. -- ------------------------------------------------------------------------------- Konrad Hinsen | E-Mail: hinsen@cnrs-orleans.fr Centre de Biophysique Moleculaire (CNRS) | Tel.: +33-2.38.25.56.24 Rue Charles Sadron | Fax: +33-2.38.63.15.17 45071 Orleans Cedex 2 | Deutsch/Esperanto/English/ France | Nederlands/Francais ------------------------------------------------------------------------------- From hinsen@cnrs-orleans.fr Wed Jul 10 16:22:05 2002 Received: from chinon.cnrs-orleans.fr (chinon.cnrs-orleans.fr [163.9.6.107]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g6AGM4n15723 for ; Wed, 10 Jul 2002 16:22:05 GMT Received: (from hinsen@localhost) by chinon.cnrs-orleans.fr (8.11.2/8.11.2) id g6AFEJT03271; Wed, 10 Jul 2002 17:14:19 +0200 Date: Wed, 10 Jul 2002 17:14:19 +0200 Message-Id: <200207101514.g6AFEJT03271@chinon.cnrs-orleans.fr> X-Authentication-Warning: chinon.cnrs-orleans.fr: hinsen set sender to hinsen@cnrs-orleans.fr using -f From: Konrad Hinsen To: fsatom-comm@tddft.org Subject: [Fsatom-comm] What do you think of a Wiki? Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: One of the new Web collaboration tools that seems particularly useful for our kind of project is a Wiki. A Wiki is a collaborative Web site: anyone can edit anything, be it for corrections, comments, or additions. It's a bit like an electronic whiteboard. Since I am running a Wiki server anyway, I just created an FSAtom Wiki for you all to play with: http://dirac.cnrs-orleans.fr/fsatom_wiki This is not meant to replace the upcoming Web site, whose goal is to present the FSAtom activities to the outside world. A Wiki is used for internal organization. No more documents sent around by e-mail with requests for comments, no more change requests that inundate the Webmaster, no more messy file archives. Everything goes directly to the Wiki. Konrad. -- ------------------------------------------------------------------------------- Konrad Hinsen | E-Mail: hinsen@cnrs-orleans.fr Centre de Biophysique Moleculaire (CNRS) | Tel.: +33-2.38.25.56.24 Rue Charles Sadron | Fax: +33-2.38.63.15.17 45071 Orleans Cedex 2 | Deutsch/Esperanto/English/ France | Nederlands/Francais ------------------------------------------------------------------------------- From kale@cs.uiuc.edu Thu Jul 11 03:17:05 2002 Received: from dcs-server2.cs.uiuc.edu (dcs-server2.cs.uiuc.edu [128.174.252.3]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g6B3H4n02544 for ; Thu, 11 Jul 2002 03:17:05 GMT Received: from cs.uiuc.edu (12-221-74-0.client.insightBB.com [12.221.74.0]) (authenticated bits=0) by dcs-server2.cs.uiuc.edu (8.12.1/8.12.1) with ESMTP id g6B2CKvF004450 (version=TLSv1/SSLv3 cipher=RC4-MD5 bits=128 verify=NOT); Wed, 10 Jul 2002 21:12:22 -0500 (CDT) Message-ID: <3D2CE982.3090400@cs.uiuc.edu> Date: Wed, 10 Jul 2002 21:12:18 -0500 From: Laxmikant Kale User-Agent: Mozilla/5.0 (Windows; U; Windows NT 5.1; en-US; rv:0.9.4) Gecko/20011128 Netscape6/6.2.1 X-Accept-Language: en-us MIME-Version: 1.0 To: Konrad Hinsen CC: fsatom-comm@tddft.org Subject: Re: [Fsatom-comm] What do you think of a Wiki? References: <200207101514.g6AFEJT03271@chinon.cnrs-orleans.fr> Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Hi. That looks good. How do you rate this wiki against "Twiki"? Sanjay Konrad Hinsen wrote: > One of the new Web collaboration tools that seems particularly useful > for our kind of project is a Wiki. A Wiki is a collaborative > Web site: anyone can edit anything, be it for corrections, comments, > or additions. It's a bit like an electronic whiteboard. > > Since I am running a Wiki server anyway, I just created an > FSAtom Wiki for you all to play with: > > http://dirac.cnrs-orleans.fr/fsatom_wiki > > This is not meant to replace the upcoming Web site, whose goal > is to present the FSAtom activities to the outside world. A Wiki > is used for internal organization. No more documents sent around > by e-mail with requests for comments, no more change requests that > inundate the Webmaster, no more messy file archives. Everything > goes directly to the Wiki. > > Konrad. > -- Laxmikant Kale http://charm.cs.uiuc.edu Professor, Computer Science kale@cs.uiuc.edu 1304 W. Springfield Ave. Ph: (217) 244-0094 Urbana, Illinois 61801 FAX: (217) 333-3501 From hinsen@cnrs-orleans.fr Thu Jul 11 08:44:33 2002 Received: from mel-rto6.wanadoo.fr (smtp-out-6.wanadoo.fr [193.252.19.25]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g6B8iXn21220 for ; Thu, 11 Jul 2002 08:44:33 GMT Received: from mel-rta7.wanadoo.fr (193.252.19.61) by mel-rto6.wanadoo.fr (6.5.007) id 3D186837008DAD78; Thu, 11 Jul 2002 09:39:24 +0200 Received: from localhost.localdomain (80.15.27.198) by mel-rta7.wanadoo.fr (6.5.007) id 3D2A78FA001268FE; Thu, 11 Jul 2002 09:39:24 +0200 Received: (from hinsen@localhost) by localhost.localdomain (8.11.6/8.11.6) id g6B7feY01796; Thu, 11 Jul 2002 09:41:40 +0200 X-Authentication-Warning: localhost.localdomain: hinsen set sender to hinsen@cnrs-orleans.fr using -f To: Laxmikant Kale Cc: fsatom-comm@tddft.org Subject: Re: [Fsatom-comm] What do you think of a Wiki? References: <200207101514.g6AFEJT03271@chinon.cnrs-orleans.fr> <3D2CE982.3090400@cs.uiuc.edu> From: Konrad Hinsen Date: 11 Jul 2002 09:41:39 +0200 In-Reply-To: <3D2CE982.3090400@cs.uiuc.edu> Message-ID: Lines: 24 User-Agent: Gnus/5.09 (Gnus v5.9.0) Emacs/21.2 MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Laxmikant Kale writes: > Hi. That looks good. How do you rate this wiki against "Twiki"? I didn't do any comparisons, I picked this one (MoinMoin, at moin.sourceforge.net) for three reasons: 1) It's written in Python, so I can extend it myself if I ever need to. 2) I know the main author. 3) It's certainly good enough for me. The other Wiki I am running on it is the MMTK support Wiki at http://dirac.cnrs-orleans.fr/mmtk_wiki Konrad. -- ------------------------------------------------------------------------------- Konrad Hinsen | E-Mail: hinsen@cnrs-orleans.fr Centre de Biophysique Moleculaire (CNRS) | Tel.: +33-2.38.25.56.24 Rue Charles Sadron | Fax: +33-2.38.63.15.17 45071 Orleans Cedex 2 | Deutsch/Esperanto/English/ France | Nederlands/Francais ------------------------------------------------------------------------------- From gonze@pcpm.ucl.ac.be Fri Jul 12 16:47:52 2002 Received: from atlas.pcpm.ucl.ac.be (atlas.pcpm.ucl.ac.be [130.104.231.55]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g6CGlhn05201 for ; Fri, 12 Jul 2002 16:47:47 GMT Received: from pcpm.ucl.ac.be (IDENT:gonze@prof.pcpm.ucl.ac.be [130.104.231.47]) by atlas.pcpm.ucl.ac.be (8.11.3/8.11.3/jmb-atlas) with ESMTP id g6CFZ8l22502 for ; Fri, 12 Jul 2002 17:35:08 +0200 (MEST) Message-ID: <3D2EF90C.9090509@pcpm.ucl.ac.be> Date: Fri, 12 Jul 2002 17:43:08 +0200 From: Xavier Gonze User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.0rc2) Gecko/20020513 Netscape/7.0b1 X-Accept-Language: en-us, en MIME-Version: 1.0 To: fsatom-comm@tddft.org Subject: Re: [Fsatom-comm] Re: Proposal of "Basic text" References: <3D249718.5010407@pcpm.ucl.ac.be> <200207081558.g68FwNG08696@saumur.cnrs-orleans.fr> Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Dear Konrad and FSatom committee members, Konrad Hinsen wrote: >>Here is a first version of the "Basic text" >>of the FS Atom association.It is formatted as simple text. >>Any critics, comment, suggestion, addition, is welcome ! > > > See below... I am also using this opportunity to test our new > mailing list, if all goes well, everyone should receive two copies > of this mail. I got two copies indeed ! > > >>The advent of rapid means of exchange of software, has helped >>the spread of so-called ``Free Software'' (free for freedom, not price), >>generally distributed under the GNU licensing scheme. > > > I am not sure that "generally" is true, there are popular "more open" > licensing schemes (e.g. BSD) as well. I also think that the > term "OpenSource" should be mentioned. Right, we can have : "The advent of rapid means of exchange of software, has helped the spread of so-called ``Free'' software (free for freedom, not price), also called ``Open Source'' software, often distributed under the GNU licensing scheme." Gilles had a similar concern. Still, I tried to combine a sentence with ``libre'' , but it becomes too confused. > > BTW, on the EuroPython conference I learned a bit more about the "Free > Software" vs. "OpenSource" debate. We had Eric Raymond there, the > inventor of the term OpenSource, who explained why it's better than > "Free Software". Others then told me that the origin of discussion is > simply that Richard Stallman (founder of the FSF) and Eric Raymond > can't stand each other and each want to become the definitive > authority on free/open software issues. I think we should stay out > of this as much as possible. > Yes, of course. > >>2) The purpose of the FSAtom association > > > We are not an association in the legal sense. In fact, we aren't > anything in a legal sense at the moment. I propose a more neutral > term (perhaps "project") to avoid misunderstandings. You are right that we aren't anything legal. "Project" is indeed in the long name that we have chosen "Free Software Project for Atomic-Scale Simulations". I guess that we will have to change "project" to something else, but this should be done later, when we will see if the project is doing what we expect it to do ! Lets use the name "project" at every place were I had "association". I visited your Wiki. I think the idea of having an official Web site + a Wiki is nice !! It has indeed a lot of advantages, that you mention briefly. When he will be back, Miguel will likely comment about this ! I guess we have to let more time for reaction on the basic text, because different people are on vacation ... The proposed new version is appended below. Best regards, Xavier -------------------------------------------------------------------- Free Software project for Atomic-scale Computations (version 020712) 1) Introduction The advent of rapid means of exchange of software, has helped the spread of so-called ``Free'' software (free for freedom, not price), also called ``Open Source'' software, often distributed under the GNU licensing scheme. While extremely effective in the computer science community, this scheme is less developped in the field of Atomic-Scale Computations. Starting a Free Software project is by no means a simple endeavour. However, it appears as an important step, not only because of the inherent advantages of the licensing scheme, but also because it changes the relationship between different groups of developers, towards a more cooperative spirit. 2) The purpose of the FSAtom project The Free Software project for Atomic-scale Computation has the aim to spread the use of the ``Free Software'' concept in the community of Atomic-scale Computation software developers, to improve the awareness of modern software engineering concepts, and to constitute the natural place for interactions between different groups of developers in this field. 3) Means of action The FSAtom project should reach this aim by taking the following actions : - maintain a Web site (hosted by CECAM) with mailing lists and with links to the relevant software projects (also to proprietary software, for information) ; - through workgroups, organize the collaboration between developers : file exchange, code testing, definition of objects, exchange of development tools, exchange of expertise ... ; - organize workshops and tutorials on related subjects, and on modern software engineering concepts ; - maintain a contact with the Free Software foundation, and spread relevant information from it or about it; - maintain a contact with relevant funding agencies or institutions, and ease (or foster) the writing of relevant proposals. 4) Organisation During the CECAM workshop "Open Source Software for Microscopic Calculation", Lyon, 19-21 June 2002, a managing committee has been set up. For the time being, it is made of nine members: D. Ceperley X. Gonze K. Hinsen K. Jakobsen L. Kale M. Marques G. Martyna D. Van Der Spoel G. Zerah The committee has elected X. Gonze as president, and has asked CECAM to host the Web page of the association. M. Mareschal, the director of CECAM has accepted the demand, and has encouraged this project. From marques@malaposta.fis.uc.pt Tue Jul 16 02:21:04 2002 Received: from malaposta.fis.uc.pt (malaposta.fis.uc.pt [193.136.215.47]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g6G2L4n13449 for ; Tue, 16 Jul 2002 02:21:04 GMT Received: (from root@localhost) by malaposta.fis.uc.pt (8.12.4/8.12.4) id g6G1HPIU068570 for fsatom-comm@tddft.org; Tue, 16 Jul 2002 02:17:25 +0100 (WEST) (envelope-from marques@malaposta.fis.uc.pt) Received: from malaposta.fis.uc.pt (localhost [127.0.0.1]) by malaposta.fis.uc.pt (8.12.4/8.12.4av) with ESMTP id g6G1HNWL068563 for ; Tue, 16 Jul 2002 02:17:23 +0100 (WEST) (envelope-from marques@malaposta.fis.uc.pt) Received: from localhost (marques@localhost) by malaposta.fis.uc.pt (8.12.4/8.12.4/Submit) with ESMTP id g6G1HNoi068560 for ; Tue, 16 Jul 2002 02:17:23 +0100 (WEST) Date: Tue, 16 Jul 2002 02:17:23 +0100 (WEST) From: Miguel Marques To: fsatom-comm@tddft.org Message-ID: <20020716021320.L60005-100000@malaposta.fis.uc.pt> MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Virus-Scanned: by AMaViS perl-11 Subject: [Fsatom-comm] web site Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: hello all, I finally arrived at San Sebastian, after almost a month of workshops, interleaved with holidays. Due to this reason, I still did not have time to work out the web site. I hope nevertheless to do so soon (this week). I think the wiki is a good idea, although I do not have much experience with that kind of tools. I will try it out in more detail as soon as I have time :) OK, and the good news at last: the CECAM guys were working well, and they already setup the computer that will store the fsatom web site, and registered the domain. So, if you point to http://www.fsatom.org/ you will see that it is up (but unfortunatly without pages yet). that's all for now. m. From marques@malaposta.fis.uc.pt Fri Jul 26 17:00:55 2002 Received: from malaposta.fis.uc.pt (malaposta.fis.uc.pt [193.136.215.47]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g6QH0t806572 for ; Fri, 26 Jul 2002 17:00:55 GMT Received: (from root@localhost) by malaposta.fis.uc.pt (8.12.4/8.12.4) id g6QFv20G057815 for fsatom-comm@tddft.org; Fri, 26 Jul 2002 16:57:02 +0100 (WEST) (envelope-from marques@malaposta.fis.uc.pt) Received: from malaposta.fis.uc.pt (localhost [127.0.0.1]) by malaposta.fis.uc.pt (8.12.4/8.12.4av) with ESMTP id g6QFv0Sn057808 for ; Fri, 26 Jul 2002 16:57:01 +0100 (WEST) (envelope-from marques@malaposta.fis.uc.pt) Received: from localhost (marques@localhost) by malaposta.fis.uc.pt (8.12.4/8.12.4/Submit) with ESMTP id g6QFuxhQ057805 for ; Fri, 26 Jul 2002 16:57:00 +0100 (WEST) Date: Fri, 26 Jul 2002 16:56:59 +0100 (WEST) From: Miguel Marques To: fsatom-comm@tddft.org Message-ID: <20020726165359.D57613-100000@malaposta.fis.uc.pt> MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Virus-Scanned: by AMaViS perl-11 Subject: [Fsatom-comm] web page. Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Hello all, Sorry for this long absence, but only now I was able to get some time to work on the web pages. You can see a first draft in http://www.fsatom.org/index.php Please give me your impressions, and send me anything you may want to see included. In the programs section all programs present in the workshop should be listed (as someone already mentioned in this list), so please send me the programs' name, an URL and a short description so I can include it in the pages. Terrible weather in San Sebastian, hope you are all getting more sun that I am this year ;) miguel From gonze@pcpm.ucl.ac.be Mon Jul 29 17:55:21 2002 Received: from atlas.pcpm.ucl.ac.be (atlas.pcpm.ucl.ac.be [130.104.231.55]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g6THtK813273 for ; Mon, 29 Jul 2002 17:55:20 GMT Received: from pcpm.ucl.ac.be (IDENT:gonze@prof.pcpm.ucl.ac.be [130.104.231.47]) by atlas.pcpm.ucl.ac.be (8.11.3/8.11.3/jmb-atlas) with ESMTP id g6TGgem02414; Mon, 29 Jul 2002 18:42:40 +0200 (MEST) Message-ID: <3D456455.9050607@pcpm.ucl.ac.be> Date: Mon, 29 Jul 2002 17:50:45 +0200 From: Xavier Gonze User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.0rc2) Gecko/20020513 Netscape/7.0b1 X-Accept-Language: en-us, en MIME-Version: 1.0 To: Miguel Marques CC: fsatom-comm@tddft.org, mareschal Subject: Re: [Fsatom-comm] web page. References: <20020726165359.D57613-100000@malaposta.fis.uc.pt> Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Dear Miguel, Miguel Marques wrote: > Hello all, > > Sorry for this long absence, but only now I was able to get some time to > work on the web pages. You can see a first draft in > http://www.fsatom.org/index.php Please give me your impressions, and send > me anything you may want to see included. In the programs section all > programs present in the workshop should be listed (as someone already > mentioned in this list), so please send me the programs' name, an URL and > a short description so I can include it in the pages. Thanks for your nice work ! It is vacation time, so difficult to progress at a fast rate anyhow. I guess you will have remarks from everybody, but ... when back from vacation. For me, the Web site as it is now is a very good starting point for further progress and discussion. I have some comments and suggestions : 1) One should identify on the Web pages who is doing the work, and who is taking the responsability of the content. I suggest that you mention at the end of each page the name of the people who maintain it (you, and the computer scientist of CECAM ?), and the FSAtom committee, with links to e-mail addresses. As an example, see the bottom of the abinit Web page (http://www.abinit.org). 2) I think it is now important to give access to the mailing list manager program on the Web site (of course, it will take some time to you). When this will be done, I could contact all the members of the workshop, to inform them that the Web site is available, and that they can register both their e-mail adress and their program. These are likely the priority improvements. 3) One question : the salmon as part of the logo is nice, but has it any particular meaning ? (I do not have a better proposal in any case - even ABINIT has no logo presently) 4) For the time being, it is fine if people have to contact you to register their program, but in the long term, we need a database, and seaching tools, isn't it ?! We will have to discuss, later, how to set up such a system 5) The wiki, as suggested by Konrad, might be very nice for our internal organisation. But this might need also some time to be set up ! Actually, without having 4) and 5) on the tracks, as soon as steps 1) and 2) are OK (may be beginning of september ?), one could make a kind of "official" inauguration of the site, by a mass mailing of the manifest, to psi-k and SIMU networks ?! Then, when sufficient people will have registered, one should start the work groups ?! What do you think ? (well, not only Miguel, but all the members of the FSAtom committee ... not on vacation ...!) Best regards, Xavier From gonze@pcpm.ucl.ac.be Wed Aug 7 19:39:57 2002 Received: from atlas.pcpm.ucl.ac.be ([130.104.231.55]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g77Jdvx09035 for ; Wed, 7 Aug 2002 19:39:57 GMT Received: from pcpm.ucl.ac.be (IDENT:gonze@prof.pcpm.ucl.ac.be [130.104.231.47]) by atlas.pcpm.ucl.ac.be (8.11.3/8.11.3/jmb-atlas) with ESMTP id g77ISCm27895; Wed, 7 Aug 2002 20:28:13 +0200 (MEST) Message-ID: <3D515A9A.6090908@pcpm.ucl.ac.be> Date: Wed, 07 Aug 2002 19:36:26 +0200 From: Xavier Gonze User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.0rc2) Gecko/20020513 Netscape/7.0b1 X-Accept-Language: en-us, en MIME-Version: 1.0 To: Miguel Marques CC: fsatom-comm@tddft.org Subject: Re: [Fsatom-comm] web page. References: <20020726165359.D57613-100000@malaposta.fis.uc.pt> Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 8bit Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Dear Miguel, When you will have again some time to work on the FSAtom Web site, could you make the following minor modification, suggested by Michel Mareschal : indicate for each of the committee member their affiliation, and link to a mailto. The tentative information on the affiliation is below (please, all of you, could you check, modify or complete ?). ... and you already have the e-mail adresses. Best regards, Xavier ------------------------------------------------------------------- D. Ceperley (U. Urbana-Champain,Urbana-Champaign, USA) X. Gonze (U. Catholique de Louvain, Louvain-la-Neuve, Belgium) K. Hinsen (Centre de Biophysique Moléculaire CNRS, Orléans, France) K. Jakobsen (Danish Technical U., Lyngby, Denmark) L. Kale (U. Urbana-Champain, Urbana-Champaign, USA) M. Marques (you know) G. Martyna (IBM, USA) Glenn, it seems that this is all the info I have ! D. Van Der Spoel(Uppsala U., Uppsala, Sweden) G. Zerah (COmmissariat Energie Atomique, Bruyeres, France) From ceperley@ncsa.uiuc.edu Wed Aug 7 20:50:03 2002 Received: from mail.ncsa.uiuc.edu ([141.142.2.28]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g77Ko2P12887 for ; Wed, 7 Aug 2002 20:50:03 GMT X-Envelope-From: ceperley@ncsa.uiuc.edu X-Envelope-To: fsatom-comm@tddft.org Received: from carlo.ncsa.uiuc.edu (carlo2.ncsa.uiuc.edu [141.142.65.184]) by mail.ncsa.uiuc.edu (8.11.6/8.11.6) with ESMTP id g77JkYV16001; Wed, 7 Aug 2002 14:46:34 -0500 Message-Id: <5.1.0.14.2.20020807144525.01ee6a50@pop.ncsa.uiuc.edu> X-Sender: ceperley@pop.ncsa.uiuc.edu (Unverified) X-Mailer: QUALCOMM Windows Eudora Version 5.1 Date: Wed, 07 Aug 2002 14:46:52 -0500 To: Xavier Gonze , Miguel Marques From: David Ceperley Subject: Re: [Fsatom-comm] web page. Cc: fsatom-comm@tddft.org In-Reply-To: <3D515A9A.6090908@pcpm.ucl.ac.be> References: <20020726165359.D57613-100000@malaposta.fis.uc.pt> Mime-Version: 1.0 Content-Type: multipart/alternative; boundary="=====================_11407113==_.ALT" Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: --=====================_11407113==_.ALT Content-Type: text/plain; charset="us-ascii"; format=flowed The attribution of Kale and me should be: D. Ceperley (U. of Illinois Urbana-Champaign, Urbana, Illinois USA) Thanks --=====================_11407113==_.ALT Content-Type: text/html; charset="us-ascii"

The attribution of Kale and me should be:

D. Ceperley (U. of Illinois Urbana-Champaign, Urbana, Illinois USA)

Thanks
 --=====================_11407113==_.ALT-- From hinsen@cnrs-orleans.fr Mon Aug 12 12:50:29 2002 Received: from chinon.cnrs-orleans.fr ([163.9.6.107]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g7CCoSn20315 for ; Mon, 12 Aug 2002 12:50:29 GMT Received: (from hinsen@localhost) by chinon.cnrs-orleans.fr (8.11.2/8.11.2) id g7CBht501015; Mon, 12 Aug 2002 13:43:55 +0200 X-Authentication-Warning: chinon.cnrs-orleans.fr: hinsen set sender to hinsen@cnrs-orleans.fr using -f To: fsatom-comm@tddft.org Subject: Re: [Fsatom-comm] web page. References: <20020726165359.D57613-100000@malaposta.fis.uc.pt> <3D456455.9050607@pcpm.ucl.ac.be> From: Konrad Hinsen Date: 12 Aug 2002 13:43:55 +0200 In-Reply-To: <3D456455.9050607@pcpm.ucl.ac.be> Message-ID: Lines: 35 User-Agent: Gnus/5.0808 (Gnus v5.8.8) Emacs/20.7 MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Xavier Gonze writes: > 4) For the time being, it is fine if people have to contact you > to register their program, but in the long term, we need a database, > and seaching tools, isn't it ?! We will have to discuss, later, how to > set up such a system That's exactly what the Wiki is good for: everybody can enter information about his program(s), and after a while, the list can simply be copied to the Web page for public consumption. > 5) The wiki, as suggested by Konrad, might be very nice for > our internal organisation. But this might need also some time > to be set up ! The Wiki works fine on my server at the moment. It would be nice to have it under the fsatom domain, but that is not urgent. It is easy to copy the whole Wiki to another server at any time. > Then, when sufficient people > will have registered, one should start the work groups ?! > > What do you think ? (well, not only Miguel, but all the I agree... Konrad. -- ------------------------------------------------------------------------------- Konrad Hinsen | E-Mail: hinsen@cnrs-orleans.fr Centre de Biophysique Moleculaire (CNRS) | Tel.: +33-2.38.25.56.24 Rue Charles Sadron | Fax: +33-2.38.63.15.17 45071 Orleans Cedex 2 | Deutsch/Esperanto/English/ France | Nederlands/Francais ------------------------------------------------------------------------------- From marques@malaposta.fis.uc.pt Tue Aug 13 15:25:21 2002 Received: from malaposta.fis.uc.pt (malaposta.fis.uc.pt [193.136.215.47]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g7DFPLn01644 for ; Tue, 13 Aug 2002 15:25:21 GMT Received: (from root@localhost) by malaposta.fis.uc.pt (8.12.4/8.12.4) id g7DENHld024976 for fsatom-comm@tddft.org; Tue, 13 Aug 2002 15:23:17 +0100 (WEST) (envelope-from marques@malaposta.fis.uc.pt) Received: from malaposta.fis.uc.pt (localhost [127.0.0.1]) by malaposta.fis.uc.pt (8.12.4/8.12.4av) with ESMTP id g7DENFRu024967 for ; Tue, 13 Aug 2002 15:23:16 +0100 (WEST) (envelope-from marques@malaposta.fis.uc.pt) Received: from localhost (marques@localhost) by malaposta.fis.uc.pt (8.12.4/8.12.4/Submit) with ESMTP id g7DENF0C024964 for ; Tue, 13 Aug 2002 15:23:15 +0100 (WEST) Date: Tue, 13 Aug 2002 15:23:15 +0100 (WEST) From: Miguel Marques To: fsatom-comm@tddft.org Message-ID: <20020813151407.F24509-100000@malaposta.fis.uc.pt> MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Virus-Scanned: by AMaViS perl-11 Subject: [Fsatom-comm] web page, Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Hello all, Thigs go really slowly in summer, don't they ;) I just returned from a wonderful week in the pyrinees, having walked around 70km in a beautiful landscape of moutains and waterfalls... but that is over now, so let's go down to buiseness ;) Most of the changes proposed were included. I just did not put the emails from the committee. The reason is that it is in general a bad policy to include emails in web pages. There are a lot of programs around "harvesting" these addresses, and then using them as recipients of bulk email. I will of course include anybody's address that tells me explicitly to do so, but I would like to have prior consentment of each person. So, if you want your email visible, just let me know ;) I also want to remember that only Xavier sent me the discription of ABINIT. Please send me the description of your programs so I can include then in the web pages. Regarding Wikis, databases, etc: I never felt the need to use a wiki, and I would feel more confortable if only one or two persons could modify the web pages. A compromise would be to have a wiki elsewhere and then export the information to the web site on a regular basis. If the number of programs exceeds around 30 I can setup a database system to handle it. I have quite some experience with this type of things, so it will not be much work ;) Before 30, a database is simply overkill! I will be here for the next 2 weeks, so my response time will definitively improve :) m. From marques@malaposta.fis.uc.pt Tue Aug 13 15:26:58 2002 Received: from malaposta.fis.uc.pt (malaposta.fis.uc.pt [193.136.215.47]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g7DFQwn12339 for ; Tue, 13 Aug 2002 15:26:58 GMT Received: (from root@localhost) by malaposta.fis.uc.pt (8.12.4/8.12.4) id g7DEOs4N025006 for fsatom-comm@tddft.org; Tue, 13 Aug 2002 15:24:54 +0100 (WEST) (envelope-from marques@malaposta.fis.uc.pt) Received: from malaposta.fis.uc.pt (localhost [127.0.0.1]) by malaposta.fis.uc.pt (8.12.4/8.12.4av) with ESMTP id g7DEOrRu024997 for ; Tue, 13 Aug 2002 15:24:53 +0100 (WEST) (envelope-from marques@malaposta.fis.uc.pt) Received: from localhost (marques@localhost) by malaposta.fis.uc.pt (8.12.4/8.12.4/Submit) with ESMTP id g7DEOqFq024994 for ; Tue, 13 Aug 2002 15:24:53 +0100 (WEST) Date: Tue, 13 Aug 2002 15:24:52 +0100 (WEST) From: Miguel Marques To: fsatom-comm@tddft.org Message-ID: <20020813152347.K24509-100000@malaposta.fis.uc.pt> MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Virus-Scanned: by AMaViS perl-11 Subject: [Fsatom-comm] salmon Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Sorry, forgot to justify why is a salmon in the logo! The answer is very simple: we had salmon at the workshop dinner in Lyon, and as I did not have any better idea... m. From hinsen@cnrs-orleans.fr Tue Aug 13 18:11:15 2002 Received: from chinon.cnrs-orleans.fr (chinon.cnrs-orleans.fr [163.9.6.107]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g7DIBFn10466 for ; Tue, 13 Aug 2002 18:11:15 GMT Received: (from hinsen@localhost) by chinon.cnrs-orleans.fr (8.11.2/8.11.2) id g7DH4ha07833; Tue, 13 Aug 2002 19:04:43 +0200 X-Authentication-Warning: chinon.cnrs-orleans.fr: hinsen set sender to hinsen@cnrs-orleans.fr using -f To: Miguel Marques Cc: fsatom-comm@tddft.org Subject: Re: [Fsatom-comm] web page, References: <20020813151407.F24509-100000@malaposta.fis.uc.pt> From: Konrad Hinsen Date: 13 Aug 2002 19:04:43 +0200 In-Reply-To: <20020813151407.F24509-100000@malaposta.fis.uc.pt> Message-ID: Lines: 24 User-Agent: Gnus/5.0808 (Gnus v5.8.8) Emacs/20.7 MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Miguel Marques writes: > emails from the committee. The reason is that it is in general a bad > policy to include emails in web pages. There are a lot of programs around > "harvesting" these addresses, and then using them as recipients of bulk I know... having been a victim for a long time already. But we could put the e-mail addresses in the form of images. > the web pages. A compromise would be to have a wiki elsewhere and then > export the information to the web site on a regular basis. If the number That was my idea. A wiki serves primarily to reduce mailing list discussions and the workload of the Web page maintainers. Konrad. -- ------------------------------------------------------------------------------- Konrad Hinsen | E-Mail: hinsen@cnrs-orleans.fr Centre de Biophysique Moleculaire (CNRS) | Tel.: +33-2.38.25.56.24 Rue Charles Sadron | Fax: +33-2.38.63.15.17 45071 Orleans Cedex 2 | Deutsch/Esperanto/English/ France | Nederlands/Francais ------------------------------------------------------------------------------- From hinsen@cnrs-orleans.fr Wed Aug 14 16:10:54 2002 Received: from chinon.cnrs-orleans.fr (chinon.cnrs-orleans.fr [163.9.6.107]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g7EGAsn26844 for ; Wed, 14 Aug 2002 16:10:54 GMT Received: (from hinsen@localhost) by chinon.cnrs-orleans.fr (8.11.2/8.11.2) id g7EF4WM06311; Wed, 14 Aug 2002 17:04:32 +0200 Date: Wed, 14 Aug 2002 17:04:32 +0200 Message-Id: <200208141504.g7EF4WM06311@chinon.cnrs-orleans.fr> X-Authentication-Warning: chinon.cnrs-orleans.fr: hinsen set sender to hinsen@cnrs-orleans.fr using -f From: Konrad Hinsen To: fsatom-comm@tddft.org Subject: [Fsatom-comm] Code section on the Wiki Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: I have added a page for information about the different codes to the FSAtom Wiki: http://dirac.cnrs-orleans.fr/fsatom_wiki/Codes You can add information about your own code(s) there now. Konrad. -- ------------------------------------------------------------------------------- Konrad Hinsen | E-Mail: hinsen@cnrs-orleans.fr Centre de Biophysique Moleculaire (CNRS) | Tel.: +33-2.38.25.56.24 Rue Charles Sadron | Fax: +33-2.38.63.15.17 45071 Orleans Cedex 2 | Deutsch/Esperanto/English/ France | Nederlands/Francais ------------------------------------------------------------------------------- From marques@malaposta.fis.uc.pt Wed Aug 21 17:57:29 2002 Received: from malaposta.fis.uc.pt (malaposta.fis.uc.pt [193.136.215.47]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g7LHvTn31098 for ; Wed, 21 Aug 2002 17:57:29 GMT Received: (from root@localhost) by malaposta.fis.uc.pt (8.12.4/8.12.4) id g7LGuWYN087380 for fsatom-comm@tddft.org; Wed, 21 Aug 2002 17:56:32 +0100 (WEST) (envelope-from marques@malaposta.fis.uc.pt) Received: from malaposta.fis.uc.pt (localhost [127.0.0.1]) by malaposta.fis.uc.pt (8.12.4/8.12.4av) with ESMTP id g7LGuVRu087371 for ; Wed, 21 Aug 2002 17:56:31 +0100 (WEST) (envelope-from marques@malaposta.fis.uc.pt) Received: from localhost (marques@localhost) by malaposta.fis.uc.pt (8.12.4/8.12.4/Submit) with ESMTP id g7LGuUr7087368 for ; Wed, 21 Aug 2002 17:56:31 +0100 (WEST) Date: Wed, 21 Aug 2002 17:56:30 +0100 (WEST) From: Miguel Marques To: fsatom-comm@tddft.org Message-ID: <20020821175512.M77737-100000@malaposta.fis.uc.pt> MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Virus-Scanned: by AMaViS perl-11 Subject: [Fsatom-comm] web page Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Hello all, A couple of changes on the web page were incorporated. I included the our mail addresses in the user at computer form, for them not to appear so obvious to mail harvesters. Also included a link to CECAM m. From hinsen@cnrs-orleans.fr Wed Aug 21 19:34:52 2002 Received: from mel-rto3.wanadoo.fr (smtp-out-3.wanadoo.fr [193.252.19.233]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g7LJYpn20326 for ; Wed, 21 Aug 2002 19:34:51 GMT Received: from mel-rta8.wanadoo.fr (193.252.19.79) by mel-rto3.wanadoo.fr (6.5.007) id 3D49FC7D0077A5CE; Wed, 21 Aug 2002 20:33:17 +0200 Received: from localhost.localdomain (80.13.82.236) by mel-rta8.wanadoo.fr (6.5.007) id 3D49FF79006AB323; Wed, 21 Aug 2002 20:33:17 +0200 Received: (from hinsen@localhost) by localhost.localdomain (8.11.6/8.11.6) id g7LIaZP01982; Wed, 21 Aug 2002 20:36:35 +0200 X-Authentication-Warning: localhost.localdomain: hinsen set sender to hinsen@cnrs-orleans.fr using -f To: Miguel Marques Cc: fsatom-comm@tddft.org Subject: Re: [Fsatom-comm] web page References: <20020821175512.M77737-100000@malaposta.fis.uc.pt> From: Konrad Hinsen Date: 21 Aug 2002 20:36:35 +0200 In-Reply-To: <20020821175512.M77737-100000@malaposta.fis.uc.pt> Message-ID: Lines: 15 User-Agent: Gnus/5.09 (Gnus v5.9.0) Emacs/21.2 MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Miguel Marques writes: > A couple of changes on the web page were incorporated. I included the Quite some additions in fact. Thanks for the effort! Konrad. -- ------------------------------------------------------------------------------- Konrad Hinsen | E-Mail: hinsen@cnrs-orleans.fr Centre de Biophysique Moleculaire (CNRS) | Tel.: +33-2.38.25.56.24 Rue Charles Sadron | Fax: +33-2.38.63.15.17 45071 Orleans Cedex 2 | Deutsch/Esperanto/English/ France | Nederlands/Francais ------------------------------------------------------------------------------- From gonze@pcpm.ucl.ac.be Tue Aug 27 20:59:37 2002 Received: from atlas.pcpm.ucl.ac.be (atlas.pcpm.ucl.ac.be [130.104.231.55]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g7RKxbn27686 for ; Tue, 27 Aug 2002 20:59:37 GMT Received: from pcpm.ucl.ac.be (IDENT:gonze@prof.pcpm.ucl.ac.be [130.104.231.47]) by atlas.pcpm.ucl.ac.be (8.12.5/8.12.5/jmb-atlas) with ESMTP id g7RJo43l023117 for ; Tue, 27 Aug 2002 21:50:10 +0200 (MEST) Message-ID: <3D6BCBDD.6040400@pcpm.ucl.ac.be> Date: Tue, 27 Aug 2002 20:58:37 +0200 From: Xavier Gonze User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.0rc2) Gecko/20020513 Netscape/7.0b1 X-Accept-Language: en-us, en MIME-Version: 1.0 To: fsatom-comm@tddft.org Content-Type: text/plain; charset=ISO-8859-15; format=flowed Content-Transfer-Encoding: 7bit Subject: [Fsatom-comm] Vacations are finished ? I. CECAM proposals Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Dear FSAtom committee members, I hope that the time has come to start serious business with the FSAtom !? Well, I hope enough people are back to work, after a good vacation time ... Let us first thank Miguel and Guillaume Truffin (CECAM webmaster) for the Web site and mailing list manager ! They are working ! Let us also thank Konrad for the (experimental) Wiki, that might become an important tool for our internal organisation. By the way, I tried the wiki, and it was working as expected : I was able to register the ABINIT project on this Web site, without disturbing Konrad. Of course, we need to put more stuff in these working (but nearly empty) tools, improve them, then advertise the project. Still, this is not the most urgent task for us... The main topics of my mail is the deadline for proposals of workshop or tutorial to the CECAM !! You know that the proposals should be sent to CECAM before September 15, 2002. At the end of the June workshop, we decided that there would likely be two proposals from our group : - one workshop on "Components", of which Glenn would be the main organizer (if I remember correctly ?!) - one tutorial related to modern Computer Science tools, of which I would be the main organizer ... and one of my duties, as chairman of the group, is to check that everything is going on as planned ... So, I am still volunteering for the tutorial organisation. If Glenn is also OK with this duty, everything is fine. I guess both of us need some help from other co-organizers. If I remember correctly, Laxmikant might join the tutorial organization (and volunteer for some lecture on parallelism, actually ?!). Glenn, of course, has full freedom for the organisation of the "component" workshop and choose the co-organizers. Of course, building upon previous proposals might considerably ease your work, so that these are available to you, if you want. On the other hand, Glenn, in case you cannot take this duty, contact me, and we will try to reorient our strategy. Please, could you do so before September 3 (otherwise, we might not have enough time to prepare something different) ? That's all for the CECAM proposals ... Xavier From gonze@pcpm.ucl.ac.be Tue Aug 27 21:22:55 2002 Received: from atlas.pcpm.ucl.ac.be (atlas.pcpm.ucl.ac.be [130.104.231.55]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g7RLMon15262 for ; Tue, 27 Aug 2002 21:22:54 GMT Received: from pcpm.ucl.ac.be (IDENT:gonze@prof.pcpm.ucl.ac.be [130.104.231.47]) by atlas.pcpm.ucl.ac.be (8.12.5/8.12.5/jmb-atlas) with ESMTP id g7RKDM3l023376 for ; Tue, 27 Aug 2002 22:13:23 +0200 (MEST) Message-ID: <3D6BD153.3040703@pcpm.ucl.ac.be> Date: Tue, 27 Aug 2002 21:21:55 +0200 From: Xavier Gonze User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.0rc2) Gecko/20020513 Netscape/7.0b1 X-Accept-Language: en-us, en MIME-Version: 1.0 To: fsatom-comm@tddft.org Content-Type: text/plain; charset=ISO-8859-15; format=flowed Content-Transfer-Encoding: 7bit Subject: [Fsatom-comm] II. Computations vs Simulations ; demand for joining the committee Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Dear FSAtom committee members, Beyond the CECAM proposals, come two things that we need to discuss : one "detail", and one more profound thing. The detail is as follows : on the Web site, the name of the project is "Free Software Project for Atomic-Scale Computations" Karsten made the remark to me that he remembered that the name we choose at the end of the workshop was "Free Software Project for Atomic-Scale Simulations". I think that he is right. Is there anybody preferring "Computations" to "Simulations" ? If not,we should ask Miguel or Guillaume Truffin to make the changes on the Web site. Let's put a deadline on the admitted answers to this question : please answer before tuesday September 3 . The more profound thing is as follows : there is already a demand for a "new" member joining the committee ! I put "new" in quote, because it is actually Paolo Giannozzi, who was present at the workshop. Well, the demand comes from Stefano Baroni, the former director of CECAM, and I have joined parts of his letter below. I guess Paolo preferred to discuss a possible participation with somebody else, instead of joining at the workshop time. Of course, now comes the real question : how will we select the members of the committee in the future ? on which basis ? what is the status of the committee, with respect to the members of the fsatom mailing list ? I would have preferred to avoid such questions until the FSatom had reached some real usefulness (not demonstrated until now !), but it seems that we have to take some of our time to think about it. Any suggestion ? Best regards, Xavier ====================================================================== (excerpts from Stefano Baroni's letter) <...> the DEMOCRITOS National Simulation Center in Trieste, of which I will be the first director, and of an initiative called "Open SESAME" (Scalable Electronic Structure and Atomistic Modeling Environment), promoted by Roberto Car, Michael Klein, Glenn Martyna, and Mark Tuckerman, and myself (more soon on www.o-sesame.org). <...> As we are committed to an open-source policy for code development and distribution, I believe that a participation of this initiative to the fs-atom project would be beneficial for all of us. I know that some of the people presently involved in the o-sesame initiative (Martyna) are already members of the fs-atom steering committee. As the building of the Princeton-Trieste package is presently under the responsibility of Paolo Giannozzi, I believe that his participation in the steering committee would be very important to enhance the interaction between our initiative and the others participating in the fs-project. Looking forward to hearing from you soon, Yours, Stefano Baroni From gonze@pcpm.ucl.ac.be Thu Aug 29 14:47:06 2002 Received: from atlas.pcpm.ucl.ac.be (atlas.pcpm.ucl.ac.be [130.104.231.55]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g7TEl5n27752 for ; Thu, 29 Aug 2002 14:47:06 GMT Received: from pcpm.ucl.ac.be (IDENT:gonze@prof.pcpm.ucl.ac.be [130.104.231.47]) by atlas.pcpm.ucl.ac.be (8.12.5/8.12.5/jmb-atlas) with ESMTP id g7TDbl3l028415 for ; Thu, 29 Aug 2002 15:37:48 +0200 (MEST) Message-ID: <3D6E179F.7050708@pcpm.ucl.ac.be> Date: Thu, 29 Aug 2002 14:46:23 +0200 From: Xavier Gonze User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.0rc2) Gecko/20020513 Netscape/7.0b1 X-Accept-Language: en-us, en MIME-Version: 1.0 To: fsatom-comm@tddft.org Subject: [Fwd: Re: [Fsatom-comm] Vacations are finished ? I. CECAM proposals] Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: -------- Original Message -------- Subject: Re: [Fsatom-comm] Vacations are finished ? I. CECAM proposals Date: Tue, 27 Aug 2002 16:15:07 -0400 From: "Glenn J Martyna" To: Xavier Gonze Hi Xavier, I am writing the proposal in the next week or so. I will collect preliminary responses from people and submit the proposal. Glenn From hinsen@cnrs-orleans.fr Thu Aug 29 15:29:55 2002 Received: from chinon.cnrs-orleans.fr (chinon.cnrs-orleans.fr [163.9.6.107]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g7TFTsn12867 for ; Thu, 29 Aug 2002 15:29:54 GMT Received: (from hinsen@localhost) by chinon.cnrs-orleans.fr (8.11.2/8.11.2) id g7TETMf29869; Thu, 29 Aug 2002 16:29:22 +0200 X-Authentication-Warning: chinon.cnrs-orleans.fr: hinsen set sender to hinsen@cnrs-orleans.fr using -f To: Xavier Gonze Cc: fsatom-comm@tddft.org Subject: Re: [Fsatom-comm] II. Computations vs Simulations ; demand for joining the committee References: <3D6BD153.3040703@pcpm.ucl.ac.be> From: Konrad Hinsen Date: 29 Aug 2002 16:29:22 +0200 In-Reply-To: <3D6BD153.3040703@pcpm.ucl.ac.be> Message-ID: Lines: 60 User-Agent: Gnus/5.0808 (Gnus v5.8.8) Emacs/20.7 MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Xavier Gonze writes: > The more profound thing is as follows : there is already > a demand for a "new" member joining the committee ! > I put "new" in quote, because it is actually Paolo > Giannozzi, who was present at the workshop. Well, the demand I am a bit surprised by the reasoning, and it makes me wonder how you others see the role of this committee as well as of the whole FSAtom project. Let's start by what we (FSAtom) are not: we are not a legal entity of any kind, we have no money, no power, in fact nothing but good intentions. So why do we have a steering committee if there isn't even anything to steer at the moment? I see the role of this committee as being a smaller group of people (smaller than the current or potential FSAtom community) that can take initiatives and discuss ideas quickly. For the composition of the committee that means that we should have as few members as possible while still covering a wide range of expertise. I do not think that it is necessary or even desirable to have a representative of each project in the committee. The committee is not a parliament. If we follow that road, we will soon need to elect an executive board of the steering committee, and that's the first step to bureaucracy. I think that people should join and leave the board as a function of their activity, projects, available time, etc. Most importantly, I think we should not start to waste too much time discussing formalities at this time, before any real activity has started. In other words, I propose to postpone any detailed discussion of changing the composition of the committee until we all have gained some experience with what we can and can't do. What we should however do is create the status of a "member" of the FSAtom community. Membership should be open to anyone related to any free-software project in our domain, even if it is only in the planning stage (that probably translates to "anyone who wants to become a member"). Members would be listed on the Web site, and be able to participate in a member mailing list. It should be clear that one can be involved in FSAtom without being in the committee, and it should in fact be clear that most work is not done by the committee. > I would have preferred to avoid such questions until the FSatom > had reached some real usefulness (not demonstrated until now !), but it > seems that we have to take some of our time to think about it. I see no problem in answering that we prefer to postpone that question, exactly because there are more urgent things to do than formalizing politics. Konrad. -- ------------------------------------------------------------------------------- Konrad Hinsen | E-Mail: hinsen@cnrs-orleans.fr Centre de Biophysique Moleculaire (CNRS) | Tel.: +33-2.38.25.56.24 Rue Charles Sadron | Fax: +33-2.38.63.15.17 45071 Orleans Cedex 2 | Deutsch/Esperanto/English/ France | Nederlands/Francais ------------------------------------------------------------------------------- From gilles.zerah@cea.fr Fri Aug 30 09:53:18 2002 Received: from cirse.saclay.cea.fr (cirse.saclay.cea.fr [132.166.192.127]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g7U9rGn30864 for ; Fri, 30 Aug 2002 09:53:17 GMT Received: from argiope.saclay.cea.fr (argiope.saclay.cea.fr [132.166.192.108]) by cirse.saclay.cea.fr (8.12.2/8.12.2/CEAnet-Internet.1.0) with ESMTP id g7U8qmPU009474 for ; Fri, 30 Aug 2002 10:52:48 +0200 (MEST) Received: from muguet.saclay.cea.fr (unverified) by argiope.saclay.cea.fr (Content Technologies SMTPRS 4.2.10) with ESMTP id for ; Fri, 30 Aug 2002 10:51:45 +0200 Received: from petunia.bruyeres.cea.fr (petunia.bruyeres.cea.fr [132.165.64.1]) by muguet.saclay.cea.fr (8.12.2/8.12.2/CEAnet-Interne.1.0) with ESMTP id g7U8ql0f008095 for ; Fri, 30 Aug 2002 10:52:47 +0200 (MEST) Received: from styx.bruyeres.cea.fr (styx-e76.bruyeres.cea.fr [132.165.76.3]) by petunia.bruyeres.cea.fr (8.9.3+Sun/jtpda-5.3.2) with ESMTP id KAA09953 for ; Fri, 30 Aug 2002 10:51:52 +0200 (MET DST) Received: by styx.bruyeres.cea.fr; id KAA26942; Fri, 30 Aug 2002 10:52:46 +0200 (MET DST) Message-Id: <200208300852.KAA26942@styx.bruyeres.cea.fr> Date: Fri, 30 Aug 2002 10:52:20 +0200 From: Gilles Zerah X-Mailer: Mozilla 4.73 [en] (X11; I; SunOS 5.7 sun4u) X-Accept-Language: en MIME-Version: 1.0 To: fsatom Subject: Re: [Fsatom-comm] II. Computations vs Simulations ; demand for joining the committee References: <3D6BD153.3040703@pcpm.ucl.ac.be> Content-Type: multipart/alternative; boundary="------------CF49005CF626A5DBD541C264" Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: --------------CF49005CF626A5DBD541C264 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: 7bit Dear members, > Is there anybody preferring > "Computations" to "Simulations" ? If not,we should > ask Miguel or Guillaume Truffin to make the changes > on the Web site. I would prefer "Simulations" > > > The more profound thing is as follows : there is already > a demand for a "new" member joining the committee ! > I think the process of construction of the project should be by iterations. From the workshop we should set up concrete actions defined at that time (and this has already started), and contact the workshop participants, and then other people. A further iteration would be to define a more formal organization (if necessary) , including a steering comitee, the present one can be considered as provisional. Regards, Gilles --------------CF49005CF626A5DBD541C264 Content-Type: text/html; charset=us-ascii Content-Transfer-Encoding: 7bit Dear members,
 
 

Is there anybody preferring
"Computations" to "Simulations" ? If not,we should
ask Miguel or Guillaume Truffin to make the changes
on the Web site.
I would prefer "Simulations"
 

The more profound thing is as follows : there is already
a demand for a "new" member joining the committee !
 


I think the process of construction of the project should be by iterations. From the workshop
we should set up concrete actions defined at that time  (and this has already started), and contact
the workshop participants, and then other people.
A further iteration would be to define a more formal organization (if necessary) , including a steering comitee, the
present one can be considered as provisional.

Regards,

Gilles
  --------------CF49005CF626A5DBD541C264-- From marques@malaposta.fis.uc.pt Fri Aug 30 10:22:56 2002 Received: from malaposta.fis.uc.pt (malaposta.fis.uc.pt [193.136.215.47]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g7UAMun29142 for ; Fri, 30 Aug 2002 10:22:56 GMT Received: (from root@localhost) by malaposta.fis.uc.pt (8.12.4/8.12.4) id g7U9NGtY044744 for fsatom-comm@tddft.org; Fri, 30 Aug 2002 10:23:16 +0100 (WEST) (envelope-from marques@malaposta.fis.uc.pt) Received: from malaposta.fis.uc.pt (localhost [127.0.0.1]) by malaposta.fis.uc.pt (8.12.4/8.12.4av) with ESMTP id g7U9NERu044737 for ; Fri, 30 Aug 2002 10:23:14 +0100 (WEST) (envelope-from marques@malaposta.fis.uc.pt) Received: from localhost (marques@localhost) by malaposta.fis.uc.pt (8.12.4/8.12.4/Submit) with ESMTP id g7U9NE3L044734 for ; Fri, 30 Aug 2002 10:23:14 +0100 (WEST) Date: Fri, 30 Aug 2002 10:23:14 +0100 (WEST) From: Miguel Marques To: fsatom Message-ID: <20020830101505.X1606-100000@malaposta.fis.uc.pt> MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Virus-Scanned: by AMaViS perl-11 Subject: [Fsatom-comm] page Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Hello all, Computations -> Simulations in the web pages ;) I will leave today for holidays. If something urgent comes up regarding the pages, try to contact Guillaume. I will be back in two weeks ;) m. From gonze@pcpm.ucl.ac.be Sat Aug 31 16:05:06 2002 Received: from atlas.pcpm.ucl.ac.be (atlas.pcpm.ucl.ac.be [130.104.231.55]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g7VG55n21646 for ; Sat, 31 Aug 2002 16:05:05 GMT Received: from pcpm.ucl.ac.be (IDENT:gonze@prof.pcpm.ucl.ac.be [130.104.231.47]) by atlas.pcpm.ucl.ac.be (8.12.5/8.12.5/jmb-atlas) with ESMTP id g7VEtv3l029871 for ; Sat, 31 Aug 2002 16:55:57 +0200 (MEST) Message-ID: <3D70CCF1.2080401@pcpm.ucl.ac.be> Date: Sat, 31 Aug 2002 16:04:33 +0200 From: Xavier Gonze User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.0rc2) Gecko/20020513 Netscape/7.0b1 X-Accept-Language: en-us, en MIME-Version: 1.0 To: fsatom-comm@tddft.org Content-Type: text/plain; charset=ISO-8859-15; format=flowed Content-Transfer-Encoding: 7bit Subject: [Fsatom-comm] Psi-k support to workshop and tutorial Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Dear all, Another information that might be useful for the organisation of the workshop and tutorial : the psi-k network funds joint "CECAM + psi-k" workshops and tutorials, and seem to be in lack of proposals for 2003, see the e-mail below. I have talked to Volker Heine in July, and he appreciates very much the FSAtom initiative, so there is a real possibility here. The complete call for proposals is in : http://psi-k.dl.ac.uk/psi-k/newsletters.html Xavier ----------------------------------------------------------------------- From the chairman of Psi-k TO:- The whole Psi-k community ========================= ABOUT:- Ideas for workshops and tutorials next year ========================================== We hope to have some money next year, but NO proposals for workshops have been received so far! This is the time to remind you to think about good topics for workshops in 2003 in your subject area. It may not be necessary to organise the workshop yourself, but to stimulate one or two reliable younger (or older?) people and then to help them with suggestions and contacts. WE HAVE EXTENDED THE DEADLINE TO 15 SEPTEMBER, which is the same as for CECAM. Please see the detailed instructions in the June Psi-k Newsletter, noting in particular (a) it must be submitted as a simple email file like this one, i think called an ASCII file, NOT latex nor any kind of attachment. (b) the suggestion about how to pay for some American participants (c) the advantage of joint application to Psi-k and Cecam. Well, I hope you have a good vacation, but please don't forget about workshop proposals. All the best, Yours Volker Heine [Psi-k chairman] ------------------------------------------------------------------------------ Prof. Volker HEINE phone +44 1223 33 72 58 Cavendish Laboratory (TCM) secretary +44 1223 33 72 54 Madingley Road reception +44 1223 33 72 00 Cambridge CB3 0HE fax +44 1223 33 73 56 England email vh200@phy.cam.ac.uk ------------------------------------------------------------------------------ From gonze@pcpm.ucl.ac.be Sat Aug 31 16:36:29 2002 Received: from atlas.pcpm.ucl.ac.be (atlas.pcpm.ucl.ac.be [130.104.231.55]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g7VGaTn04962 for ; Sat, 31 Aug 2002 16:36:29 GMT Received: from pcpm.ucl.ac.be (IDENT:gonze@prof.pcpm.ucl.ac.be [130.104.231.47]) by atlas.pcpm.ucl.ac.be (8.12.5/8.12.5/jmb-atlas) with ESMTP id g7VFRN3l000017; Sat, 31 Aug 2002 17:27:23 +0200 (MEST) Message-ID: <3D70D44F.1080001@pcpm.ucl.ac.be> Date: Sat, 31 Aug 2002 16:35:59 +0200 From: Xavier Gonze User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.0rc2) Gecko/20020513 Netscape/7.0b1 X-Accept-Language: en-us, en MIME-Version: 1.0 To: fsatom-comm@tddft.org, webmaster@cecam.fr Content-Type: text/plain; charset=ISO-8859-15; format=flowed Content-Transfer-Encoding: 7bit Subject: [Fsatom-comm] CECAM 2002 minutes from Konrad Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Dear all (including Guillaume Truffin, see later) In order to help the preparation of the tutorial and workshop, the notes that Konrad took during the 2002 workshop could prove quite useful. They are on the Web , at http://dirac.cnrs-orleans.fr/~hinsen/cecam_opensource_notes In reading them again, I noticed that the end of the document mentioned that we had chosen the name "Free software project for atomic scale simulation". I thank Miguel for having changed the title on the Web. Still, the erroneous title in mentioned in the manifest ! I send a copy of the mail to Guillaume Truffin, CECAM webmaster, as I just read that Miguel Marques will be away during some time. Guillaume, could you replace "Atomic-scale Computation" by "Atomic-scale Simulation" in the Web page http://www.fsatom.org/manifest.php ? Thanks in advance ! Also in Konrad's notes, I find the tentative title for the workshop "Component architecture for atomic-scale simulations" and Jakob Schiotz is mentioned as having accepted to be co-organizer, with Glenn ! Regards, Xavier From gonze@pcpm.ucl.ac.be Sat Sep 7 18:04:17 2002 Received: from atlas.pcpm.ucl.ac.be (atlas.pcpm.ucl.ac.be [130.104.231.55]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g87I4Gn01343 for ; Sat, 7 Sep 2002 18:04:17 GMT Received: from pcpm.ucl.ac.be (IDENT:gonze@prof.pcpm.ucl.ac.be [130.104.231.47]) by atlas.pcpm.ucl.ac.be (8.12.5/8.12.5/jmb-atlas) with ESMTP id g87Gtv3l020588 for ; Sat, 7 Sep 2002 18:55:58 +0200 (MEST) Message-ID: <3D7A2398.1010200@pcpm.ucl.ac.be> Date: Sat, 07 Sep 2002 18:04:40 +0200 From: Xavier Gonze User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.0rc2) Gecko/20020513 Netscape/7.0b1 X-Accept-Language: en-us, en MIME-Version: 1.0 To: fsatom-comm@tddft.org Subject: Re: [Fsatom-comm] II. Computations vs Simulations ; demand for joining the committee References: <3D6BD153.3040703@pcpm.ucl.ac.be> Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk Reply-To: fsatom-comm@www.tddft.org List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Dear all, Coming back to the organisation and membership of the steering committee. There have been comments by Konrad and Gilles : Gilles Zerah wrote: >I think the process of construction of the project should be by >iterations. From the workshop >we should set up concrete actions defined at that time (and this has >already started), and contact >the workshop participants, and then other people. >A further iteration would be to define a more formal organization (if >necessary) , including a steering comitee, the >present one can be considered as provisional. Konrad Hinsen wrote: > Let's start by what we (FSAtom) are not: we are not a legal entity of > any kind, we have no money, no power, in fact nothing but good > intentions. So why do we have a steering committee if there isn't > even anything to steer at the moment? > > I see the role of this committee as being a smaller group of people > (smaller than the current or potential FSAtom community) that can take > initiatives and discuss ideas quickly. For the composition of the > committee that means that we should have as few members as possible > while still covering a wide range of expertise. I do not think that it > is necessary or even desirable to have a representative of each > project in the committee. The committee is not a parliament. If we > follow that road, we will soon need to elect an executive board of the > steering committee, and that's the first step to bureaucracy. > > I think that people should join and leave the board as a function of > their activity, projects, available time, etc. Most importantly, I > think we should not start to waste too much time discussing > formalities at this time, before any real activity has started. In > other words, I propose to postpone any detailed discussion of changing > the composition of the committee until we all have gained some > experience with what we can and can't do. > > What we should however do is create the status of a "member" of the > FSAtom community. Membership should be open to anyone related to any > free-software project in our domain, even if it is only in the > planning stage (that probably translates to "anyone who wants to > become a member"). Members would be listed on the Web site, and be > able to participate in a member mailing list. It should be clear that > one can be involved in FSAtom without being in the committee, and it > should in fact be clear that most work is not done by the committee. > > I see no problem in answering that we prefer to postpone that > question, exactly because there are more urgent things to do than > formalizing politics. I mostly agree with Konrad and Gilles, and in any case, I think it is wise to postpone any change in the present committee until we have the first "General" meeting of the FSAtom (that might either be virtual, or organized after a planned CECAM workshop, as discussed in one of my mails of today). Before I transmit this to Stefano and Paolo, I would like to hear from you about the following idea... The committee might be the image of the FSAtom activities, that is, it might be the union of : - people responsible of a FSAtom workgroup ; - people organizing a workshop or a tutorial for the FSAtom ; - the person responsible of the FSAtom Web site ; - the person in charge of linking all these people, and linking to the Free Software Foundation (who would be the chairman). This would have the advantages that - the committee membership is well-defined and associated to a duty ; - one avoids the present problem that Mark Tuckermann, who is responible of a workgroup (according to the "Minutes" established by Konrad) is not part of our discussions ! The committee might be renewed once per year, one people might be renewed at most once for a given responsibility (may be I am already too bureaucratic). Please, could you comment before the end of this week, so that I can transmit to Stefano and Paolo without too much delay ? Best regards, Xavier From gilles.zerah@cea.fr Mon Sep 9 16:39:03 2002 Received: from cirse.saclay.cea.fr (cirse.saclay.cea.fr [132.166.192.127]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g89Gchn30977 for ; Mon, 9 Sep 2002 16:38:49 GMT Received: from argiope.saclay.cea.fr (argiope.saclay.cea.fr [132.166.192.108]) by cirse.saclay.cea.fr (8.12.2/8.12.2/CEAnet-Internet.1.0) with ESMTP id g89FdQPU014546 for ; Mon, 9 Sep 2002 17:39:26 +0200 (MEST) Received: from muguet.saclay.cea.fr (unverified) by argiope.saclay.cea.fr (Content Technologies SMTPRS 4.2.10) with ESMTP id for ; Mon, 9 Sep 2002 17:37:59 +0200 Received: from petunia.bruyeres.cea.fr (petunia.bruyeres.cea.fr [132.165.64.1]) by muguet.saclay.cea.fr (8.12.2/8.12.2/CEAnet-Interne.1.0) with ESMTP id g89FdQik024656 for ; Mon, 9 Sep 2002 17:39:26 +0200 (MEST) Received: from styx.bruyeres.cea.fr (styx-e76.bruyeres.cea.fr [132.165.76.3]) by petunia.bruyeres.cea.fr (8.9.3+Sun/jtpda-5.3.2) with ESMTP id RAA07824 for ; Mon, 9 Sep 2002 17:38:24 +0200 (MET DST) Received: by styx.bruyeres.cea.fr; id RAA23922; Mon, 9 Sep 2002 17:39:24 +0200 (MET DST) Message-Id: <200209091539.RAA23922@styx.bruyeres.cea.fr> Date: Mon, 09 Sep 2002 17:39:06 +0200 From: Gilles Zerah X-Mailer: Mozilla 4.73 [en] (X11; I; SunOS 5.7 sun4u) X-Accept-Language: en MIME-Version: 1.0 To: fsatom-comm@tddft.org Subject: Re: [Fsatom-comm] II. Computations vs Simulations ; demand for joiningthe committee References: <3D6BD153.3040703@pcpm.ucl.ac.be> <3D7A2398.1010200@pcpm.ucl.ac.be> Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: 7bit Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk Reply-To: fsatom-comm@www.tddft.org List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: Xavier Gonze wrote: > Dear all, > > Coming back to the organisation and membership > of the steering committee. > There have been comments by Konrad and Gilles : > > Gilles Zerah wrote: > >I think the process of construction of the project should be by > >iterations. From the workshop > >we should set up concrete actions defined at that time (and this has > >already started), and contact > >the workshop participants, and then other people. > >A further iteration would be to define a more formal organization (if > >necessary) , including a steering comitee, the > >present one can be considered as provisional. > > Konrad Hinsen wrote: > > Let's start by what we (FSAtom) are not: we are not a legal entity of > > any kind, we have no money, no power, in fact nothing but good > > intentions. So why do we have a steering committee if there isn't > > even anything to steer at the moment? > > > > I see the role of this committee as being a smaller group of people > > (smaller than the current or potential FSAtom community) that can take > > initiatives and discuss ideas quickly. For the composition of the > > committee that means that we should have as few members as possible > > while still covering a wide range of expertise. I do not think that it > > is necessary or even desirable to have a representative of each > > project in the committee. The committee is not a parliament. If we > > follow that road, we will soon need to elect an executive board of the > > steering committee, and that's the first step to bureaucracy. > > > > I think that people should join and leave the board as a function of > > their activity, projects, available time, etc. Most importantly, I > > think we should not start to waste too much time discussing > > formalities at this time, before any real activity has started. In > > other words, I propose to postpone any detailed discussion of changing > > the composition of the committee until we all have gained some > > experience with what we can and can't do. > > > > What we should however do is create the status of a "member" of the > > FSAtom community. Membership should be open to anyone related to any > > free-software project in our domain, even if it is only in the > > planning stage (that probably translates to "anyone who wants to > > become a member"). Members would be listed on the Web site, and be > > able to participate in a member mailing list. It should be clear that > > one can be involved in FSAtom without being in the committee, and it > > should in fact be clear that most work is not done by the committee. > > > > I see no problem in answering that we prefer to postpone that > > question, exactly because there are more urgent things to do than > > formalizing politics. > > I mostly agree with Konrad and Gilles, and in any case, I think it is > wise to postpone any change in the present committee until we have > the first "General" meeting of the FSAtom (that might either be virtual, > or organized after a planned CECAM workshop, as discussed in one of my > mails of today). Before I transmit this to Stefano and Paolo, > I would like to hear from you about the following idea... > > The committee might be the image of the FSAtom activities, that is, > it might be the union of : > - people responsible of a FSAtom workgroup ; > - people organizing a workshop or a tutorial for the FSAtom ; > - the person responsible of the FSAtom Web site ; > - the person in charge of linking all these people, and linking > to the Free Software Foundation (who would be the chairman). > This would have the advantages that > - the committee membership is well-defined and associated to a duty ; I agree. Steering committee is maybe a misnomer. Duty committee is better ;-) > > - one avoids the present problem that Mark Tuckermann, > who is responible of a workgroup > (according to the "Minutes" established by Konrad) is not part of > our discussions ! This mean you propose to extend to committee to Mark? > > The committee might be renewed once per year, OK, but also tasks (duties) might extend on a non yearly basis and might the reasons for a modification of the committee. The question of how to handle this arises immediately. I have no answer. > one people might > be renewed at most once for a given responsibility > (may be I am already too bureaucratic). Two years maximum in a row is very short...(I know by experience, and once you write this, it is in stone. So I would avoid) > > From martyna@us.ibm.com Mon Sep 16 15:06:20 2002 Received: from e3.ny.us.ibm.com (e3.ny.us.ibm.com [32.97.182.103]) by nautilus.fis.uc.pt (8.11.4/8.10.1) with ESMTP id g8GEpA810995 for ; Mon, 16 Sep 2002 14:51:10 GMT Received: from northrelay04.pok.ibm.com (northrelay04.pok.ibm.com [9.56.224.206]) by e3.ny.us.ibm.com (8.12.2/8.12.2) with ESMTP id g8GDqQlN184080 for ; Mon, 16 Sep 2002 09:52:30 -0400 Received: from d01ml233.pok.ibm.com (d01ml233.pok.ibm.com [9.56.224.56]) by northrelay04.pok.ibm.com (8.12.3/NCO/VER6.4) with ESMTP id g8GDqJFh047390 for ; Mon, 16 Sep 2002 09:52:24 -0400 Importance: Normal Sensitivity: To: fsatom-comm@tddft.org X-Mailer: Lotus Notes Release 5.0.7 March 21, 2001 Message-ID: From: "Glenn J Martyna" Date: Mon, 16 Sep 2002 09:52:16 -0400 X-MIMETrack: Serialize by Router on D01ML233/01/M/IBM(Release 5.0.10 |March 22, 2002) at 09/16/2002 09:52:23 AM MIME-Version: 1.0 Content-type: multipart/mixed; Boundary="0__=0ABBE6A5DFDFB42A8f9e8a93df938690918c0ABBE6A5DFDFB42A" Content-Disposition: inline Subject: [Fsatom-comm] (no subject) Sender: fsatom-comm-admin@www.tddft.org Errors-To: fsatom-comm-admin@www.tddft.org X-BeenThere: fsatom-comm@www.tddft.org X-Mailman-Version: 2.0 Precedence: bulk Reply-To: fsatom-comm@www.tddft.org List-Help: List-Post: List-Subscribe: , List-Id: Free Sotware Project for Atomic Scale Calculations Steering Committee mailing list List-Unsubscribe: , List-Archive: --0__=0ABBE6A5DFDFB42A8f9e8a93df938690918c0ABBE6A5DFDFB42A Content-type: text/plain; charset=us-ascii Dear Committee Members, Enclosed please find a proposal for a CECAM workshop entitled "Component Architectures, Open Standards and Parallel Algorithms for Molecular and Atomistic simulations on large grids, supercomputers, clusters and workstations''. The workshop will bring together commerical and open software developers to discuss parallel algorithms, frameworks for parallel computation, component architectures (high level frameworks that permit diverse software to be plugged and played together) and open standards. Please consider the proposal to be open for discussion, ammendment and improvement. Cheers, Glenn Martyna and Jakob Schiotz. 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