From chemistry-request@server.ccl.net Wed Jul 10 16:36:54 2002 Received: from uni-kl.de ([131.246.137.52]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g6AKasp22371 for ; Wed, 10 Jul 2002 16:36:54 -0400 Received: from mailgate2.uni-kl.de (mailgate2.uni-kl.de [131.246.120.7]) by uni-kl.de (8.12.4/8.12.4) with ESMTP id g6AKanoO006666 for ; Wed, 10 Jul 2002 22:36:49 +0200 (MET DST) Received: from aixs1.rhrk.uni-kl.de (exim@aixs1.rhrk.uni-kl.de [131.246.137.3]) by mailgate2.uni-kl.de (8.12.1/8.12.1) with ESMTP id g6AKanKW026020 for ; Wed, 10 Jul 2002 22:36:49 +0200 Received: from aixd1.rhrk.uni-kl.de ([131.246.137.210] ident=exim) by aixs1.rhrk.uni-kl.de with esmtp (Exim 4.04) id 17SOCe-0008Ma-00 for CHEMISTRY@server.ccl.net; Wed, 10 Jul 2002 22:36:48 +0200 Received: from gerwalin (helo=localhost) by aixd1.rhrk.uni-kl.de with local-esmtp (Exim 3.03 #5) id 17SOCe-000ppW-00 for CHEMISTRY@server.ccl.net; Wed, 10 Jul 2002 22:36:48 +0200 Date: Wed, 10 Jul 2002 22:36:48 +0200 (MES) From: Elmar Gerwalin To: CHEMISTRY@server.ccl.net Subject: g98: convergence of scrf=ipcm Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hello, could someone please tell me the convergence criteria for a g98 scrf=ipcm calculation ? A job of me seems to run forever. (and by the way: only 2 parameters for the input stream of scrf=ipcm are documented: epsilon and the isodensity value, but in some inputs (from the test suite of g98) I read "scrf with multiple origins" and a line like 78.3 0.001 24 12 3 F 0 ends the input. What is the meaning of those values?) Thanks a lot for your help. Bye Elmar Maybe a part of an output helps: --------------------- (Enter /usr/local/g98/l117.exe) 10 Phi and 5 Theta Values Per Atom NABMO STP ISTEP RAD NUMR CUTOFF DStMX0 MoBas? 4 5.00E-02 5 1.0E-01 20 1.0E-10 1.0E+01 F Using single center to handle rho isosurface. Intersections with the isosurface found. Max. Dist. Between Center of Nuclear Charge and Isosurface = 7.669214E+00 Min. Dist. Between Center of Nuclear Charge and Isosurface = 4.289005E+00 Total "Solvent Accessible Surface Area" of Solute = 4.950386E+02 Volume of Solute Cavity = 9.100482E+02 Total number of points on surface is 50 Tomasi Approximation I (1/(4*pi)) Times Flux of Nuclear E Field Thru Surface = 52.880295 Actual Positive Charge Within Cavity = 53.000000 (1/(4*pi)) Times Flux of Solute E Field Thru Surface = 1.247899 Tomasi Approximation II .... Iteration number 15 MaxDiff 0.139697791212E-05 Self polarization converged in 15 iterations. ... Largest difference in charges from previous cycle is 0.396523001340E-03 Tomasi Approximation III Net Surface Polarization Charge Divided by -(1-1/epsi) = 1.000000 Leave Link 117 at Wed Jul 10 22:21:34 2002, ... (Enter /usr/local/g98/l301.exe) ... Background charge distribution read from rwf: Nuclear-Charge attraction = -8.5059494510 193 basis functions 304 primitive gaussians 26 alpha electrons 26 beta electrons nuclear repulsion energy 311.0936271612 Hartrees. Nuclear repulsion after solvent point charges= 306.8406524357 Hartrees. Leave Link 301 at Wed Jul 10 22:21:34 2002, .... ----~--------------------- ============================================================== Elmar Gerwalin , University of Kaiserslautern, Germany gerwalin@rhrk.uni-kl.de (soon: ) http://www.rhrk.uni-kl.de/~gerwalin ============================================================== From chemistry-request@server.ccl.net Wed Jul 10 15:27:22 2002 Received: from batch11.uni-muenster.de ([128.176.188.109]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g6AJRLp20414 for ; Wed, 10 Jul 2002 15:27:22 -0400 Received: from zivlnx01.uni-muenster.de (ZIVLNX01.UNI-MUENSTER.DE [128.176.188.24]) by batch11.uni-muenster.de (Postfix) with ESMTP id 4892D10D2 for ; Wed, 10 Jul 2002 21:27:17 +0200 (MES) Received: from localhost (localhost.uni-muenster.de [127.0.0.1]) by zivlnx01.uni-muenster.de (Postfix with Virus Detection) with ESMTP id 9301C312C5 for ; Wed, 10 Jul 2002 21:27:12 +0200 (CEST) Received: from RAS22-240.UNI-MUENSTER.DE (RAS22-240.UNI-MUENSTER.DE [128.176.235.241]) by zivlnx01.uni-muenster.de (Postfix with Virus Detection) with SMTP id 96D4D312C0 for ; Wed, 10 Jul 2002 21:27:11 +0200 (CEST) Message-Id: <3.0.1.32.20020710212807.006f1218@pop.uni-muenster.de> X-Sender: jodickt@pop.uni-muenster.de X-Mailer: Windows Eudora Light Version 3.0.1 (32) Date: Wed, 10 Jul 2002 21:28:07 +0200 To: chemistry@ccl.net From: Tim =?iso-8859-1?Q?J=F6dicke?= Subject: CCL: Molecular vs. Macroscopic Properties Mime-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" X-Virus-Scanned: by AMaViS 0.3.12pre7 Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id g6AJRMp20415 Dear CCL's, i need some literature according the relationship of molecular vs. macroscopic properties. E.g. the vdW-surface of a molecule and its sweetnes. Thanks in advance tim ******************************************************** Tim Jödicke email: jodickt@uni-muenster.de .... my brain hurts! Terry Gilliam ******************************************************** From chemistry-request@server.ccl.net Thu Jul 11 12:23:44 2002 Received: from boris.3dp.com ([207.106.4.70]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g6BGNic23347 for ; Thu, 11 Jul 2002 12:23:44 -0400 Received: from AGRAFIOTISNB (dhcp-1-7.3dp.com [172.26.1.7]) by boris.3dp.com (SGI-8.9.3/8.9.3) with SMTP id MAA96419 for ; Thu, 11 Jul 2002 12:28:24 -0400 (EDT) From: "Dimitris K. Agrafiotis" To: Subject: queries for comparing substructure search engines Date: Thu, 11 Jul 2002 12:28:24 -0400 Message-ID: <5FD66AAB0F19594292438D57B86643706F82B3@mailsrv01.corp.3dp.com> MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 (Normal) X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook CWS, Build 9.0.2416 (9.0.2911.0) Importance: Normal X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2600.0000 Dear all, Has anyone ever compiled a list of substructure search queries that one can use to compare different database search engines? Also, some bibliography on the subject (peer-reviewed publications rather than commercial blurbs) would be greatly appreciated as well. SMARTS would be ideal. Thanks in advance. --- Dimitris K. Agrafiotis, PhD | E-mail: agrafiotis@3dp.com 3-Dimensional Pharmaceuticals, Inc. | Tel: (610) 458-6045 665 Stockton Drive, Suite 104 | Fax: (610) 458-8249 Exton, PA 19341 | http://www.dimitris-agrafiotis.com From chemistry-request@server.ccl.net Thu Jul 11 10:56:43 2002 Received: from alchemy.chem.utoronto.ca (IDENT:root@[142.150.224.224]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g6BEuhc22004 for ; Thu, 11 Jul 2002 10:56:43 -0400 Received: from localhost (cmatta@localhost) by alchemy.chem.utoronto.ca (8.11.6/8.11.6) with ESMTP id g6BEufZ05378 for ; Thu, 11 Jul 2002 10:56:43 -0400 Date: Thu, 11 Jul 2002 10:56:41 -0400 (EDT) From: "Cherif F. Matta" X-X-Sender: cmatta@alchemy To: CHEMISTRY@ccl.net Subject: ONIOM Question Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=ISO-8859-1 Content-Transfer-Encoding: 8BIT Dear Colleagues, We are interested in studying localized chemical reactions on silicon Si(111) surfaces, a complex surface which requires large clusters for a good representation of the reaction environment. The ONIOM method is probably our best bet to circumvert the computational bottle neck. I would very much appreciate any help to resolve the following: In the Si(111) cluster, there is a number of tri-coordinated Si atoms (each with one dangling bond). The part to be included in the high-level calculation does not include all of the dangling bonds. Therefore the multiplicities of the high-, intermediate-, and low-levels should be different. Gaussian98 seems to mandate the usage of the same multiplicity for the three layers. Firsttly, is that a true statement?. If not, then how can one specify in G98 different multiplicity for different layers? The following is a section of an input file (which failed): #p oniom=(ub3lyp/3-21g*:ub3lyp/Gen:am1) opt=z-matrix Si(111), 3 ad-atoms + 1 rest atom with 1 Cl-Benz adsorbed 0 2 (multiplicity for the H level - only 1 dangling bond) 0 3 (multiplicity for the M level - 2 dangling bonds) 0 3 (multiplicity for the L level - 2 dangling bonds) Si 0 x1 y1 z1 M Si 0 x2 y2 z2 H Si 0 x6 y6 z6 M ....... ....... G98 does not allows except for ONE line for multiplicity specification followed by the molecular geometry. As a result the same multiplicity is assigned for the three layers. Thank you very much. Cherif ----------------------------------------- Chérif F. Matta, Theoretical/Computational Chemist, Lash Miller Chemical Laboratories, Chemistry Department, University of Toronto, 80 St. George Street (Room 261), Toronto, Ontario, Canada M5S 1A1. .......................................... Telephone: (416) 978 - 3625 Cellular: (416) 996 - 2444 Fax: (416) 978 - 7580 Web Site: http://chem.utoronto.ca/~cmatta/ ------------------------------------------ From chemistry-request@server.ccl.net Thu Jul 11 13:16:34 2002 Received: from uni-kl.de ([131.246.137.52]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g6BHGYc24497 for ; Thu, 11 Jul 2002 13:16:34 -0400 Received: from mailgate2.uni-kl.de (mailgate2.uni-kl.de [131.246.120.7]) by uni-kl.de (8.12.4/8.12.4) with ESMTP id g6BHGWIU000043 for ; Thu, 11 Jul 2002 19:16:33 +0200 (MET DST) Received: from aixs1.rhrk.uni-kl.de (exim@aixs1.rhrk.uni-kl.de [131.246.137.3]) by mailgate2.uni-kl.de (8.12.1/8.12.1) with ESMTP id g6BHGWKW009486 for ; Thu, 11 Jul 2002 19:16:32 +0200 Received: from aixd1.rhrk.uni-kl.de ([131.246.137.210] ident=exim) by aixs1.rhrk.uni-kl.de with esmtp (Exim 4.04) id 17ShYO-0008rE-00 for chemistry@ccl.net; Thu, 11 Jul 2002 19:16:32 +0200 Received: from gerwalin (helo=localhost) by aixd1.rhrk.uni-kl.de with local-esmtp (Exim 3.03 #5) id 17ShYO-000ZPo-00 for chemistry@ccl.net; Thu, 11 Jul 2002 19:16:32 +0200 Date: Thu, 11 Jul 2002 19:16:31 +0200 (MES) From: Elmar Gerwalin To: chemistry@ccl.net Subject: g98: options of "scrf=ipcm" Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hello, only 4 parameters for the input stream of scrf=ipcm are documented: epsilon , the isodensity value, the nr of Phi and Theta points but in some inputs (from the test suite of g98) you find jobs, described "scrf with multiple(or: single) origins" and a line like 78.3 0.001 24 12 3 F 0 ends the input. What is the meaning of the last 3 values "3 F 0" ? It has something to do with the "number of origins", but I cannot see what (even reading the source code didn't help me) Maybe a part of an output helps: --------------------- (Enter /usr/local/g98/l117.exe) 10 Phi and 5 Theta Values Per Atom NABMO STP ISTEP RAD NUMR CUTOFF DStMX0 MoBas? 4 5.00E-02 5 1.0E-01 20 1.0E-10 1.0E+01 F Using single center to handle rho isosurface. ... ------ Thanks a lot for your help, bye Elmar ============================================================== Elmar Gerwalin , University of Kaiserslautern, Germany gerwalin@rhrk.uni-kl.de (soon: ) http://www.rhrk.uni-kl.de/~gerwalin ============================================================== From chemistry-request@server.ccl.net Thu Jul 11 18:47:40 2002 Received: from ccl.net ([192.148.249.4]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g6BMlec00375 for ; Thu, 11 Jul 2002 18:47:40 -0400 Received: from arlen.ccl.net (arlen.ccl.net [192.148.249.10]) by ccl.net (8.11.6+Sun/8.11.6/OSC 2.0) with ESMTP id g6BMle106403; Thu, 11 Jul 2002 18:47:40 -0400 (EDT) Date: Thu, 11 Jul 2002 18:47:38 -0400 (EDT) From: Jan Labanowski To: Computational Chemistry List cc: Jan Labanowski , gerwalin@rhrk.uni-kl.de Subject: Your Coordinator speaking: Problem posting to the list In-Reply-To: Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear Elmar, and other members of CCL... We (chemistry@ccl.net) are getting about 1000 spam messages a day (yes, a day). The only defense is to block sites which sent spam. If computers in your organization have been hacked by spammers and we got spam from them, they may be blocked from sending messages to CCL. If you are sending mail from some "free" e-mail address which is used by spammers, your mail will be rejected too. What can you do? 1) Forward your message to my OSC address: jkl@ccl.net and tell me to forward it to CCL... 2) Use some other address/machine to send mail to CCL (it need not be a machine from which you subscribed) At some point, when I have more experience with this, I will put the instructions on the Wen. In any case TELL ME ABOUT IT and send me the message to jkl@ccl.net (not to ccl.net) FROM THE PROBLEM MACHINE, so I can remove the address > from the blacklilst, hoping that spammers got tired to use your machine and moved to someone's else. I am sorry... But there is no other practical way to protect CCL agains the flood of junk and filth. I do not have resources to have 1000 messages inspected by qualified computational chemists. In fact, I do not have much resources, period... {:-(}. Jan Still trying to sail the Internet... jkl@ccl.net On Thu, 11 Jul 2002, Computational Chemistry List wrote: > > > -- > Computational Chemistry List http://www.ccl.net/chemistry > Administration (chemistry-request@ccl.net) ftp://ftp.ccl.net/ > Ohio Supercomputer Center ccl@ccl.net > 1224 Kinnear Rd > Columbus, Ohio 43212-1163 > > ---------- Forwarded message ---------- > Date: Thu, 11 Jul 2002 19:23:24 +0200 (MES) > From: Elmar Gerwalin > To: CHEMISTRY-REQUEST@ccl.net > Subject: Problem posting to the list > > > Hello, > > for 2 days I try to post a message to the CCL List. > > My last one I sent a few minutes ago to chemistry@ccl.net, > is that address o.k. ? > > Could you please tell me if I made a mistake or > if your server is refusing my mail ? > > Thank you very much for your help, > > bye > > Elmar > ============================================================== > Elmar Gerwalin , University of Kaiserslautern, Germany > gerwalin@rhrk.uni-kl.de > (soon: ) http://www.rhrk.uni-kl.de/~gerwalin > ============================================================== > > > Jan K. Labanowski | phone: 614-292-9279, FAX: 614-292-7168 Ohio Supercomputer Center | E-mail: jkl@ccl.net 1224 Kinnear Rd, | http://www.ccl.net/~jkl Columbus, OH 43212-1163 | http://www.ccl.net/ http://asdn.net/ From chemistry-request@server.ccl.net Thu Jul 11 03:06:31 2002 Received: from smtp01.sohu.com ([61.135.132.105]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g6B76Tc12981 for ; Thu, 11 Jul 2002 03:06:30 -0400 Received: from lq (unknown [202.127.145.3]) by smtp01.sohu.com (Postfix) with ESMTP id 5EC2C536E2 for ; Thu, 11 Jul 2002 14:46:43 +0800 (CST) Date: Thu, 11 Jul 2002 14:46:15 +0800 From: "=?GB2312?Q?=CB=AE=BF=CD?=" To: "chemistry@ccl.net" Subject: Summary: the most common structure X-mailer: Foxmail 4.1 [cn] Mime-Version: 1.0 Content-Type: multipart/mixed; boundary="=====000_Dragon282408514201_=====" Message-Id: <20020711064643.5EC2C536E2@smtp01.sohu.com> This is a multi-part message in MIME format. --=====000_Dragon282408514201_===== Content-Type: text/plain; charset="GB2312" Content-Transfer-Encoding: quoted-printable Dear CCL, There are some very helpful responses to my query about the= most common structure. They are listed below (with permission for responses not= already posted to the list). Looks like this can work with some care (kernel problems for= which patches are available seem to be the key). I really appreciate the responses provided, =09=09Steve Bowlus, =09=09Rick Venable, =09=09David Shobe. Who have the program about it, please tell me, thanks. = --------------------- Original Question: Sir/Miss=A3=BA Good morning. =09Who can tell me how to pick up the most common structure from a= set of compounds, and save it into a structure file? Could you= indicate to me further softwares able to perform the same task? I have SYBYL= software, but no DISTILL module. =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D Here are the answers received: =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D From: David Shobe < dshobe@sud-chemieinc.com > =09 =09I dont' have the answer, but I will ask a clarifying question= that may help others. =09If you take the phrase "most common structure" literally, it= means the (sub)structure which is present in the greatest number= of compounds in the set. This would end up being individual= atoms like C or H, if we don't make any restrictions on what is= a structure. But if there is a restriction, for example that a= "structure" must consist of at least 5 atoms, then this would be= a meaningful question with a nontrivial answer. =09However, the above interpretation relies on a fine point of= English usage, and I would not be surprised if the intended= request is for the LARGEST common structure, that is the largest= substructure which is present in ALL of the compounds of the= set. =09Note that "common" can mean either "occurring frequently" as in= the first interpretation, or "occurring in all" as in the= second. =09I didn't mean to turn this into an English lesson, but I hope= this ensures that the right question is answered. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Form Rick Venable I usually use a 2 step process: (1) compute the average coordinate structure (2) find structure with smallest coord RMSD vs. average =09I've termed this the 'typical' structure. I often limit the= RMSD calc to heavy atoms, or just the polymer backbone. =09I use CHARMM for this, but perhaps SYBYL has a scripting= procedure that could be used to accomplish the 2 steps. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ > From Steve Bowlus Since you refer to the Distill module, I infer you are looking= for the "Maximal Common Substructure" (in Tripos parlance). = This will entail a lot of trying this and trying that, but one= way to attack the problem is 0) Just to make visualization easier, delete all H from the= compounds in your database. 1) select a "representative" molecule from the database. 2) guess the largest substructure, and delete all other atoms - You can make a guess and run, or you can nibble away at the= molecule by deleting "trivial" functionality 3) run File > Align Database using the structure from 2 as the= alignment template - If the fragment is present in every molecule, the alignment= will run without any messages informing you that the structure= is not present. 4) iterate steps 2 and 3 until the alignment step gives no= messages. You can check by loading the database into Sybyl= (database get * m2 retrieve); the aligned molecules will stack= up very clearly using the substructure from 2 =09 =09This does not guarantee that the fragment you find is the= largest or only large common fragment, but you can try other= starting points as well. =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D Li Qiang Shanghai Institute of Organic Chemistry Chinese Academy of Sciences No.354 Road FengLin ShangHai, 200032, China Phone: 08621-64163300-2735 Fax: 08621-64166128 --=====000_Dragon282408514201_===== Content-Type: image/gif; name="pikaqu.gif" Content-Transfer-Encoding: base64 Content-Disposition: FoxmailIcon; filename="pikaqu.gif" R0lGODlhIAAgAKIAAFUAACoAAP9fAP+/AP+fAP//AAAAAACAgCH/C05FVFNDQVBFMi4wAwEAAAAh /g5CdWlsdCBieSBaaXBweQAh+QQBZAAHACwAAAAAIAAgAAAD/ni63P4wykmrveSYS7P5m/MdmWUQ wPiARkBkKAiU51AMbgCIgD0YqV5hOAgSfLHhrlG7BWzD6E1ATA4DK8EPKiUOtASBIRpaGQbH7m3A FggCUWwEQC8Quqgo/V6QR84fXFcfRGcFAH4QAIdjcFEaB3YCM3xLWYJqkmFAfIkMBm59OEKLQ25u YycBZUxubE84T1FhqDNiJQ89bLu8UJuULhIoaC/FL1o3qagTZ8bOAnypiBRj0M5hUkUfnitHLsZw X7vbFS1Fu8MEsGgtFy1Hu5MubJu4E6vWL/QEQNCTJi8AuCnGzobAEwA3DQwj8AgobhJATZKRwk0K iBNSOODXCY6Dx48gQ35MAAAh+QQBZAAHACwAAAAAIAAgAAAD/ni63P4wykmrveSYS7P5m/MdmWUQ wPiARkBkKAiU51AMbgCIgD0YqV5hOAgSfLHhrlG7BWzD6E1ATA4DK8EPKiUOtASBIRpaGQbH7m3A FggCUWwEAFAPCVI6viCPnEFSLR9EZwUAfRB1cXYFYTN7S1lcjGFhQHuIDAZufDhCigVubmMnAWVM bmxPOE9RYaMzYiUPPWy2t1CWjy4SKGgvwC9aN6SjE2fByQJ7pIcUY8vJYVJFH5krRy7BcF+21hUt Rba+BKtoLRctR7YCh+uWsxOm0S9sL0DL7SYvAG7A5zb6ndhnyZ+jZT/ecNjUTkYKNymuUUjhgMA3 DhgzatyYAjEBADs= --=====000_Dragon282408514201_=====-- From chemistry-request@server.ccl.net Thu Jul 11 21:35:07 2002 Received: from kbtfw.kubota.co.jp (firewall-user@[133.253.102.202]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g6C1Z5c14655 for ; Thu, 11 Jul 2002 21:35:06 -0400 Received: by kbtfw.kubota.co.jp; id g6C1Z2a22334; Fri, 12 Jul 2002 10:35:02 +0900 (JST) Received: from unknown(133.253.122.4) by kbtfw.kubota.co.jp via smap (V5.0) id xma021432; Fri, 12 Jul 02 10:34:19 +0900 Received: from kubotaj.tt.kubota.co.jp (kbtgk.eto.kubota.co.jp [133.253.122.3]) by kbtmk.eto.kubota.co.jp (8.12.2/8.12.2) with ESMTP id g6C1YH7K063069 for ; Fri, 12 Jul 2002 10:34:18 +0900 (JST) Received: from tt.kubota.co.jp (pegasus.tt.kubota.co.jp [133.253.130.15]) by kubotaj.tt.kubota.co.jp (8.9.3+3.2W/3.7W) with ESMTP id KAA21866 for ; Fri, 12 Jul 2002 10:42:28 +0900 Received: from muramasa01 [133.253.130.200] by tt.kubota.co.jp (SMTPD32-7.06) id A351163C0094; Fri, 12 Jul 2002 10:39:29 +0900 Message-ID: <005a01c22946$11756130$c882fd85@muramasa01> From: "a-konoo" To: Subject: how to get over 2G intermidiate file on linux g98? Date: Fri, 12 Jul 2002 10:47:23 +0900 MIME-Version: 1.0 Content-Type: text/plain; charset="iso-2022-jp" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.00.2919.6700 X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2919.6700 hi CCLers I heard that g98 on linux can make single over 2Gbyte intermediate file. we use g98 rev a11.3 on Redhat 7.2 (kernel 2.4) and I know Redhat 7.2 kernel exeeding over 2Gfile size limit. so this problem"can't make over 2G intermidiate file" may be derived from g98. Anyone know how to improbe this problem? I know how to divide under 2G rwf file to 8 rwf files. so we can get summed 16Gbyte inetrmidiate file.but we want to get single file whose size is over 2Gbyte.. regards! ################################# KGT Inc systerm service dept cluster tech group Atsutoshi Konoo +81-03-3225-0747 a-konoo@kubota.co.jp #################################