From chemistry-request@ccl.net Tue Jun 22 04:22:30 2004 Received: from qcmm9 ([202.103.38.171]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i5M9MPSU003547 for ; Tue, 22 Jun 2004 04:22:28 -0500 Received: from 163.com (qcmm9 [10.10.1.9]) by qcmm9 (8.12.8/8.12.8) with ESMTP id i5M9OCG5032368; Tue, 22 Jun 2004 17:24:13 +0800 Message-ID: <40D7FABC.4030400)at(163.com> Date: Tue, 22 Jun 2004 17:24:12 +0800 From: scopio User-Agent: Mozilla/5.0 (X11; U; Linux i686; zh-CN; rv:1.6) Gecko/20040113 X-Accept-Language: zh-cn,zh MIME-Version: 1.0 To: caroline taylor CC: CCL list Subject: Re: CCL:ifc8.0 error References: In-Reply-To: Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=6.0 required=7.5 tests=DNS_FROM_RFCI_DSN, IMPRONONCABLE_1,NO_RDNS2,WORKSTATION_NAME autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Dear Taylor: I met this problem before. In my case, $LD_LIBRARY_PATH is not properly set. There's many phase setting $LD_LIBRARY_PATH in my cshrc file seem have confilict with those phase in ifortvars.csh. So you may carefully check your $LD_LIBRARY_PATH is correctly set or not. good luck! Liu caroline taylor wrote: >Hello, all. > >I'm trying to get version 8 of the intel fortran compiler working (ifc7 >is fine), and everything runs fine if I do a static build of some >program. The compiler appears to build/install correctly, and will build a >(dynamic) executable, but I get the following error when I try to run that >executable: > > > >>./a.out: error while loading shared libraries: libcxa.so.5: cannot open >> >> >shared object file: No such file or directory > > >The file _is_ in the directory that the compiler looks in: > > >>ls -l /opt/intel_fc_80/lib/ >> >> >-rw-r--r-- 1 root root 229564 Oct 29 2003 libcxa.a >-rw-r--r-- 1 root root 1052 Oct 29 2003 libcxaguard.a >-rwxr-xr-x 1 root root 27 Oct 29 2003 libcxaguard.so >-rwxr-xr-x 1 root root 2496 Oct 29 2003 libcxaguard.so.5 >-rwxr-xr-x 1 root root 22 Oct 29 2003 libcxa.so >-rwxr-xr-x 1 root root 172615 Oct 29 2003 libcxa.so.5 > >and the $LD_LIBRARY_PATH variable is set correctly in the run scripts >(this is the only suggestion provided by Intel, and hasn't helped anyone >else, either). > >Does anyone out there have a solution to this? > >Thanks in advance!!! > Caroline > >--------------------------------------------- >Dr. Caroline M. Taylor >Department of Chemistry >University of Chicago, James Franck Institute >5640 S. Ellis Avenue >Chicago, Illinois 60637 >(773) 702-7223 >http://kff1.uchicago.edu/~cmtaylor >--------------------------------------------- > > > >-= 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)at(ccl.net > >Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST)at(ccl.net >HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs > >If your mail is bouncing from CCL.NET domain send it to the maintainer: >Jan Labanowski, jlabanow)at(nd.edu (read about it on CCL Home Page) >-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > > > > > > > > > From chemistry-request@ccl.net Tue Jun 22 05:19:23 2004 Received: from mail.mans.edu.eg (mail.mans.edu.eg [193.227.50.14]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i5MAJLSU005216 for ; Tue, 22 Jun 2004 05:19:22 -0500 Content-class: urn:content-classes:message MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="----_=_NextPart_001_01C45842.69183DFE" Subject: optimizing subset in a supermolecule in G98 X-MimeOLE: Produced By Microsoft Exchange V6.0.6249.0 Date: Tue, 22 Jun 2004 13:19:32 +0300 Message-ID: <095F5EDC6A006F41AFF7804586108ACF38E543-.at.-mail.mans.edu.eg> X-MS-Has-Attach: X-MS-TNEF-Correlator: Thread-Topic: optimizing subset in a supermolecule in G98 Thread-Index: AcRYQmkYoj14xCV7Tx6tzTA8d1DNrA== From: "Tarek M. El-Gogary" To: X-Spam-Status: No, hits=0.0 required=7.5 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net This is a multi-part message in MIME format. ------_=_NextPart_001_01C45842.69183DFE Content-Type: text/plain; charset="utf-8" Content-Transfer-Encoding: base64 RGVhciBDQ0wtZXJzLA0KDQpJIHdhbnQgdG8gcGVyZm9ybSBhIGdlb20uIG9wdHouIGNhbGN1bGF0 aW9uIGZvciBhIG1vbm9tZXIgaW4gYSB0cmltZXIgc3VwZXJtb2xlY3VsZSBzeXN0ZW0gbWFpbnRh aW5pbmcgdGhlIHRyaW1lciBzdGFydGluZyBzdHJ1Y3R1cmUgKHdoaWNoIGlzIGNvbWluZyBmcm9t IHgtcmF5IHN0dWR5KS4gQ291bGQgeW91IHRlbGwgbWUgc29tZSBoaW50IGFib3V0IGhvdyB0byBw ZXJmb3JtIGl0PyBBbnkgc3VnZ2VzdGlvbiB3aWxsIGJlIGhlbHBmdWwuIFRoYW5rIHlvdSBpbiBh ZHZhbmNlLg0KU29ycnksIEkgZm9yZ2V0IHRvIG1lbnRpb24gdGhhdCBJIGFtIHVzaW5nIEc5OCBp biBteSBwcmV2aW91cyBtZXNzYWdlLg0KIA0KDQoNCkJlc3QgcmVnYXJkcywNCiB0YXJlaw0K ------_=_NextPart_001_01C45842.69183DFE Content-Type: text/html; charset="utf-8" Content-Transfer-Encoding: base64 PCFET0NUWVBFIEhUTUwgUFVCTElDICItLy9XM0MvL0RURCBIVE1MIDQuMCBUcmFuc2l0aW9uYWwv L0VOIj48SFRNTD48SEVBRD48TUVUQSBIVFRQLUVRVUlWPSJDb250ZW50LVR5cGUiIENPTlRFTlQ9 InRleHQvaHRtbDsgY2hhcnNldD11dGYtOCI+PC9IRUFEPjxCT0RZPjxESVY+CjxESVY+PEZPTlQg c2l6ZT0yPkRlYXIgQ0NMLWVycyw8QlI+PEJSPkkgd2FudCB0byBwZXJmb3JtIGEgZ2VvbS4gb3B0 ei4gCmNhbGN1bGF0aW9uIGZvciBhIG1vbm9tZXIgaW4gYSB0cmltZXIgc3VwZXJtb2xlY3VsZSBz eXN0ZW0mbmJzcDttYWludGFpbmluZyB0aGUgCnRyaW1lciBzdGFydGluZyBzdHJ1Y3R1cmUgKHdo aWNoIGlzIGNvbWluZyBmcm9tIHgtcmF5IHN0dWR5KS4gQ291bGQgeW91IHRlbGwgbWUgCnNvbWUg aGludCBhYm91dCBob3cgdG8gcGVyZm9ybSBpdD8gQW55IHN1Z2dlc3Rpb24gd2lsbCBiZSBoZWxw ZnVsLiBUaGFuayB5b3UgaW4gCmFkdmFuY2UuPEJSPlNvcnJ5LCBJIGZvcmdldCB0byBtZW50aW9u IHRoYXQgSSBhbSB1c2luZyBHOTggaW4gbXkgcHJldmlvdXMgCm1lc3NhZ2UuPEJSPiZuYnNwOzxC Uj48QlI+PEJSPkJlc3QgCnJlZ2FyZHMsPEJSPiZuYnNwO3RhcmVrPC9GT05UPjwvRElWPjwvRElW PjwvQk9EWT48L0hUTUw+ ------_=_NextPart_001_01C45842.69183DFE-- From chemistry-request@ccl.net Tue Jun 22 02:04:40 2004 Received: from mb2i1.ns.pitt.edu (mb2i1.ns.pitt.edu [136.142.185.162]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i5M74cSU030223 for ; Tue, 22 Jun 2004 02:04:39 -0500 Received: from CONVERSION-DAEMON by pitt.edu (PMDF V5.2-32 #41462) id <01LBKZO0FKA8003M5M~at~mb2i1.ns.pitt.edu> for chemistry~at~ccl.net; Tue, 22 Jun 2004 03:09:13 EDT Received: from visual1.chem.pitt.edu ([136.142.109.16]) by pitt.edu (PMDF V5.2-32 #41462) with ESMTP id <01LBKZNYCT5E003LDB~at~mb2i1.ns.pitt.edu>; Tue, 22 Jun 2004 03:09:11 -0400 (EDT) Date: Tue, 22 Jun 2004 03:09:10 -0400 From: Kadir Diri Subject: Re: CCL:ifc8.0 error In-reply-to: To: caroline taylor Cc: CCL list Message-id: <40D7DB16.3090001~at~visual1.chem.pitt.edu> MIME-version: 1.0 Content-type: multipart/alternative; boundary="Boundary_(ID_/KxlRoqUuK+fL4KpdYKbmw)" User-Agent: Mozilla/5.0 (Windows; U; Windows NT 5.1; en-US; rv:1.4) Gecko/20030624 Netscape/7.1 (ax) X-Accept-Language: en-us, en References: X-Spam-Status: No, hits=3.5 required=7.5 tests=HTML_MESSAGE,HTML_TITLE_EMPTY, NO_RDNS2 autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net This is a multi-part message in MIME format. --Boundary_(ID_/KxlRoqUuK+fL4KpdYKbmw) Content-type: text/plain; charset=us-ascii; format=flowed Content-transfer-encoding: 7bit Hi! This looks like a simple path problem, but in that case the Intel people would probably catch it immediately. Is /opt/intel_fc_80/lib/ in your path? Make sure it is, when you run your executable. Is $LD_LIBRARY_PATH defined in your login shell profile file, or do you at least define this variable before running your executable? kadir caroline taylor wrote: >Hello, all. > >I'm trying to get version 8 of the intel fortran compiler working (ifc7 >is fine), and everything runs fine if I do a static build of some >program. The compiler appears to build/install correctly, and will build a >(dynamic) executable, but I get the following error when I try to run that >executable: > > > >>./a.out: error while loading shared libraries: libcxa.so.5: cannot open >> >> >shared object file: No such file or directory > > >The file _is_ in the directory that the compiler looks in: > > >>ls -l /opt/intel_fc_80/lib/ >> >> >-rw-r--r-- 1 root root 229564 Oct 29 2003 libcxa.a >-rw-r--r-- 1 root root 1052 Oct 29 2003 libcxaguard.a >-rwxr-xr-x 1 root root 27 Oct 29 2003 libcxaguard.so >-rwxr-xr-x 1 root root 2496 Oct 29 2003 libcxaguard.so.5 >-rwxr-xr-x 1 root root 22 Oct 29 2003 libcxa.so >-rwxr-xr-x 1 root root 172615 Oct 29 2003 libcxa.so.5 > >and the $LD_LIBRARY_PATH variable is set correctly in the run scripts >(this is the only suggestion provided by Intel, and hasn't helped anyone >else, either). > >Does anyone out there have a solution to this? > >Thanks in advance!!! > Caroline > >--------------------------------------------- >Dr. Caroline M. Taylor >Department of Chemistry >University of Chicago, James Franck Institute >5640 S. Ellis Avenue >Chicago, Illinois 60637 >(773) 702-7223 >http://kff1.uchicago.edu/~cmtaylor >--------------------------------------------- > > > >-= 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~at~ccl.net > >Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST~at~ccl.net >HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs > >If your mail is bouncing from CCL.NET domain send it to the maintainer: >Jan Labanowski, jlabanow~at~nd.edu (read about it on CCL Home Page) >-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > > > > > > --Boundary_(ID_/KxlRoqUuK+fL4KpdYKbmw) Content-type: text/html; charset=us-ascii Content-transfer-encoding: 7bit Hi! This looks like a simple path problem, but in that case the Intel people would probably catch it immediately. Is /opt/intel_fc_80/lib/ in your path? Make sure it is, when you run your executable. Is $LD_LIBRARY_PATH defined in your login shell profile file, or do you at least define this variable before running your executable?
kadir


caroline taylor wrote:
Hello, all.

I'm trying to get version 8 of the intel fortran compiler working (ifc7
is fine), and everything runs fine if I do a static build of some
program. The compiler appears to build/install correctly, and will build a
(dynamic) executable, but I get the following error when I try to run that
executable:

  
./a.out: error while loading shared libraries: libcxa.so.5: cannot open
    
shared object file: No such file or directory


The file _is_ in the directory that the compiler looks in:
  
ls -l /opt/intel_fc_80/lib/ 
    
-rw-r--r--    1 root     root       229564 Oct 29  2003 libcxa.a
-rw-r--r--    1 root     root         1052 Oct 29  2003 libcxaguard.a
-rwxr-xr-x    1 root     root           27 Oct 29  2003 libcxaguard.so
-rwxr-xr-x    1 root     root         2496 Oct 29  2003 libcxaguard.so.5
-rwxr-xr-x    1 root     root           22 Oct 29  2003 libcxa.so
-rwxr-xr-x    1 root     root       172615 Oct 29  2003 libcxa.so.5

and the $LD_LIBRARY_PATH variable is set correctly in the run scripts
(this is the only suggestion provided by Intel, and hasn't helped anyone
else, either).

Does anyone out there have a solution to this?

Thanks in advance!!!
	Caroline

---------------------------------------------
Dr. Caroline M. Taylor
Department of Chemistry
University of Chicago, James Franck Institute
5640 S. Ellis Avenue
Chicago, Illinois 60637
(773) 702-7223
http://kff1.uchicago.edu/~cmtaylor
---------------------------------------------



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--Boundary_(ID_/KxlRoqUuK+fL4KpdYKbmw)-- From chemistry-request@ccl.net Tue Jun 22 07:22:17 2004 Received: from oulu.fi (ousrvr.oulu.fi [130.231.240.1]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i5MCMFSU009390 for ; Tue, 22 Jun 2004 07:22:15 -0500 Received: from cc.oulu.fi (sun3.oulu.fi [130.231.240.13]) by oulu.fi (8.12.10/8.12.10) with ESMTP id i5MCR0Zm004218 for ; Tue, 22 Jun 2004 15:27:00 +0300 (EEST) Received: from sun3.oulu.fi (sun3.oulu.fi [130.231.240.13]) by cc.oulu.fi (8.12.10/8.12.10) with ESMTP id i5MCQxhr012864 for ; Tue, 22 Jun 2004 15:27:00 +0300 (EEST) Date: Tue, 22 Jun 2004 15:26:59 +0300 (EEST) From: Satyan Sharma X-X-Sender: satyan-.at.-sun3.oulu.fi To: chemistry-.at.-ccl.net Subject: Error:Incomplete Coordinate Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Spam-Status: No, hits=0.0 required=7.5 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Dear CClers, I am trying to perform optimization of a supposedly simple system using PM3. But I always end up with the following error: -------------- Incomplete coordinate system. Try restarting with Geom=Check Guess=Read Opt=(ReadFC,NewRedundant) Incomplete coordinate system. Any suggestion or help, Thanks in advance, Satyan Sharma