From chemistry-request@ccl.net Sun Jun 12 06:30:43 2005 Received: from smtpout.mac.com (smtpout.mac.com [17.250.248.73]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j5CAUbl0007467 for ; Sun, 12 Jun 2005 06:30:38 -0400 Received: from mac.com (smtpin01-en2 [10.13.10.146]) by smtpout.mac.com (Xserve/8.12.11/smtpout16/MantshX 4.0) with ESMTP id j5C9tRi4025397 for ; Sun, 12 Jun 2005 02:55:28 -0700 (PDT) Received: from [192.168.3.10] (apoitiers-155-1-54-144.w83-193.abo.wanadoo.fr [83.193.149.144]) (authenticated bits=0) by mac.com (Xserve/smtpin01/MantshX 4.0) with ESMTP id j5C9tL3M003024 (version=TLSv1/SSLv3 cipher=RC4-SHA bits=128 verify=NO) for ; Sun, 12 Jun 2005 02:55:24 -0700 (PDT) Mime-Version: 1.0 (Apple Message framework v730) In-Reply-To: <47D306FD-71EC-4499-85C6-61580B9ACAC7 ~~ fen.bilkent.edu.tr> References: <47D306FD-71EC-4499-85C6-61580B9ACAC7 ~~ fen.bilkent.edu.tr> Content-Type: text/plain; charset=ISO-8859-1; delsp=yes; format=flowed Message-Id: <56591F0D-BA78-4CF6-ABAB-5A1526E0ACF6 ~~ mac.com> From: David KOZLOWSKI Subject: Re: CCL:displaying Gaussview on a remote computer Date: Sun, 12 Jun 2005 11:55:33 +0200 To: chemistry ~~ ccl.net X-Mailer: Apple Mail (2.730) X-Spam-Status: No, score=0.0 required=5.0 tests=none autolearn=failed version=3.0.3 X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id j5CAUhl0007479 Dear, For Tiger, it is necessary to launch X11 then you make ssh -Y user@hostname Le 11 juin 05 ` 19:27, Ulrike Salzner a icrit : > Dear all, > I am running GaussView on Linux computers (Fedora Core3) at work. > At home I am using a Mac (OSX Tiger). I am using VNC to see the > Linux desktop. Unfortunately GaussView does not open the error is: > > Xlib: extension "GLX" missing on display ":1:0". > > I also tried via ssh. When I try to open GaussView in the terminal > window the error is cannot connect to X11 server. > > Is there any way to display GaussView running on Linux on a Mac? > > Thanks, > Ulrike Salzner > > > -= This is automatically added to each message by the mailing > script =- > To send e-mail to subscribers of CCL put the string CCL: on your > Subject: line > and send your message to: CHEMISTRY ~~ ccl.net > > Send your subscription/unsubscription requests to: CHEMISTRY- > REQUEST ~~ ccl.netHOME Page: http://www.ccl.net | Jobs Page: http:// > www.ccl.net/jobs > If your is mail bouncing from ccl.net domain due to spam filters, > please > use the Web based form from CCL Home Page-+-+-+-+-+-+-+-+-+-+-+-+-+- > +-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > > > > > > > > > From chemistry-request@ccl.net Sun Jun 12 05:46:07 2005 Received: from euroscreen.be (81-188-4-180.sdsl.easynet.be [81.188.4.180]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j5C9k3fB005895 for ; Sun, 12 Jun 2005 05:46:04 -0400 X-MimeOLE: Produced By Microsoft Exchange V6.0.6249.0 content-class: urn:content-classes:message MIME-Version: 1.0 Content-Type: text/plain; charset="utf-8" Subject: absorbance spectra or colored compound prediction Date: Sun, 12 Jun 2005 11:01:33 +0200 Message-ID: <5198ADA420721246BC35BFA666E24F16D8D832 %a% euromail.euroscreen.be> X-MS-Has-Attach: X-MS-TNEF-Correlator: Thread-Topic: absorbance spectra or colored compound prediction Thread-Index: AcVvLVS3EhTAplfjR2SNsK+E/pZfYw== From: =?utf-8?Q?Fr=C3=A9d=C3=A9ric_Ooms?= To: X-Spam-Status: No, score=0.1 required=5.0 tests=FORGED_RCVD_HELO autolearn=failed version=3.0.3 X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from base64 to 8bit by server.ccl.net id j5C9k7fB005902 Dear colleagues, I am looking for a method to predict colored compounds or their absorbance spectra in UV-vis. Thanks for your suggestions Fred From chemistry-request@ccl.net Sun Jun 12 02:50:08 2005 Received: from century.fen.bilkent.edu.tr (century.fen.bilkent.edu.tr [139.179.97.100]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j5C6o4BJ020484 for ; Sun, 12 Jun 2005 02:50:05 -0400 Received: from [192.168.0.6] (d80016b.dorm.bilkent.edu.tr [139.179.137.177]) by century.fen.bilkent.edu.tr (8.12.8/8.12.8) with ESMTP id j5C6dKjS017436 for ; Sun, 12 Jun 2005 09:39:20 +0300 (EET DST) Mime-Version: 1.0 (Apple Message framework v730) Content-Transfer-Encoding: 7bit Message-Id: <45FCBB65-3CB9-49AC-8583-C98967FD6101 ~~ fen.bilkent.edu.tr> Content-Type: text/plain; charset=US-ASCII; delsp=yes; format=flowed To: chemistry ~~ ccl.net From: Ulrike Salzner Subject: CCL: displaying GaussView on a remote computer Date: Sun, 12 Jun 2005 09:49:58 +0300 X-Mailer: Apple Mail (2.730) X-Spam-Status: No, score=0.0 required=5.0 tests=none autolearn=failed version=3.0.3 X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net Dear all, I am running GaussView on Linux computers (Fedora Core3) at work. At home I am using a Mac (OSX Tiger). I am using VNC to see the Linux desktop. Unfortunately GaussView does not open the error is: Xlib: extension "GLX" missing on display ":1:0". I also tried via ssh. When I try to open GaussView in the terminal window the error is cannot connect to X11 server. Is there any way to display GaussView running on Linux on a Mac? Thanks, Ulrike Salzner From chemistry-request@ccl.net Sun Jun 12 09:04:24 2005 Received: from web15110.mail.cnb.yahoo.com (web15110.mail.cnb.yahoo.com [202.165.103.79]) by server.ccl.net (8.13.1/8.13.1) with SMTP id j5CD4HoH012864 for ; Sun, 12 Jun 2005 09:04:19 -0400 Received: (qmail 12770 invoked by uid 60001); 12 Jun 2005 12:04:13 -0000 Message-ID: <20050612120413.12768.qmail|at|web15110.mail.cnb.yahoo.com> Received: from [61.183.207.52] by web15110.mail.cnb.yahoo.com via HTTP; Sun, 12 Jun 2005 20:04:13 CST Date: Sun, 12 Jun 2005 20:04:13 +0800 (CST) From: renyanliang Subject: formchk erro To: chemistry|at|ccl.net MIME-Version: 1.0 Content-Type: text/plain; charset=gb2312 Content-Transfer-Encoding: 8bit X-Spam-Status: No, score=0.9 required=5.0 tests=DNS_FROM_RFC_ABUSE, FROM_ENDS_IN_NUMS autolearn=no version=3.0.3 X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net Dear everybody when I used the formchk to convert the file (gauss 03 C02 for sgi), I found one erro as following: Read checkpoint file 1prc-pbh-uff-zindo-pop.chk Write formatted file 1prc-pbh-uff-zindo-pop.fchk Out-of-memory error in routine FChkPn-MO (IEnd= 19876291 MxCore= 6291456) Use %mem=19MW to provide the minimum amount of memory required to complete this step. Error termination via Lnk1e at Fri Jun 10 07:34:06 2005. Segmentation fault hope u can give me some advice. ___________________________________________________________ QE;"Cb7QGSJOd#-VP9z5ZR;>xN^@,;xSJ<~I'HE3,4sSJOd http://cn.mail.yahoo.com/?id=77071 From chemistry-request@ccl.net Sun Jun 12 09:20:18 2005 Received: from smtp108.mail.sc5.yahoo.com (smtp108.mail.sc5.yahoo.com [66.163.170.6]) by server.ccl.net (8.13.1/8.13.1) with SMTP id j5CDKEpq013407 for ; Sun, 12 Jun 2005 09:20:14 -0400 Received: (qmail 85619 invoked from network); 12 Jun 2005 12:20:14 -0000 Received: from unknown (HELO yahoo.com.cn) (yanliangren?2002@61.183.207.52 with plain) by smtp108.mail.sc5.yahoo.com with SMTP; 12 Jun 2005 12:20:14 -0000 Message-ID: <42AC2925.7080500|at|yahoo.com.cn> Date: Sun, 12 Jun 2005 20:23:01 +0800 From: yanliangren_2002 User-Agent: Mozilla/5.0 (X11; U; Linux i686; zh-CN; rv:1.2.1) Gecko/20030225 X-Accept-Language: zh-cn,zh MIME-Version: 1.0 To: chemistry|at|ccl.net Subject: if the oniom method can calculate the excited state Content-Type: text/plain; charset=gb2312 Content-Transfer-Encoding: 7bit X-Spam-Status: No, score=0.9 required=5.0 tests=DNS_FROM_RFC_ABUSE, FROM_ENDS_IN_NUMS autolearn=no version=3.0.3 X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net Hi, everybody, I learned that the oniom method in gaussian program can be used to do optimization and single-energy calculations etc. But I don`t know if which also can calculate excitation spectrum. Previously, I have test it for one small molecule, but the results are very bad, hope some advice. Best wish! __________________________________________________ Do You Yahoo!? QE;"Cb7QGSJOd#-VP9z5ZR;>xN^@,;xSJ<~I'HE3,4sSJOd http://cn.mail.yahoo.com/?id=77071