From giulio@indigo.farma.unimi.it Mon Mar 23 05:19:39 1998 Received: from indigo.farma.unimi.it for giulio@indigo.farma.unimi.it by www.ccl.net (8.8.3/950822.1) id EAA02547; Mon, 23 Mar 1998 04:31:11 -0500 (EST) Received: (from giulio@localhost) by indigo.farma.unimi.it (950413.SGI.8.6.12/950213.SGI.AUTOCF) id KAA25545 for chemistry@www.ccl.net; Sun, 23 Mar 1997 10:24:07 -0800 Date: Sun, 23 Mar 1997 10:24:07 -0800 From: giulio@indigo.farma.unimi.it (Giulio Vistoli) Message-Id: <199703231824.KAA25545@indigo.farma.unimi.it> To: chemistry@www.ccl.net Subject: String F77 Library Dear compchemers I put in software archive a f77 library to string management and file parsing. It's very useful to read free format files (like C files) and cast string in number and viceversa My library is placed in ftp://www.ccl.net/pub/chemistry/software/SOURCES/FORTRAN/string-library Bugs and Suggestions are willcommed Best Regards Giulio Vistoli From mchalla@ice.lanl.gov Mon Mar 23 15:19:45 1998 Received: from ice.lanl.gov for mchalla@ice.lanl.gov by www.ccl.net (8.8.3/950822.1) id OAA06767; Mon, 23 Mar 1998 14:44:02 -0500 (EST) Received: from localhost (mchalla@localhost) by ice.lanl.gov (8.8.5/8.8.5) with SMTP id MAA12984 for ; Mon, 23 Mar 1998 12:38:25 -0700 Date: Mon, 23 Mar 1998 12:38:25 -0700 (MST) From: Matt Challacombe T-12 To: CHEMISTRY@www.ccl.net Subject: Pentium Pro Optimized BLAS for Linux! Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCLers, Following is a recently opened web page from which you may obtain Pentium Pro Optimized BLAS and FFTs for Intel Linux: http://www.cs.utk.edu/~ghenry/distrib/ If you find these libraries usefull (and who wouldn't?), please let Greg know how they've helped you. Cheers, Matt +-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ Matt Challacombe Los Alamos National Laboratory http://www.t12.lanl.gov/~mchalla/ Theoretical Division email: mchalla@t12.lanl.gov Group T-12, Mail Stop B268 phone: (505) 665-5905 Los Alamos, New Mexico 87545 fax: (505) 665-3909 +-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ From chem8@york.ac.uk Mon Mar 23 16:19:46 1998 Received: from pump2.york.ac.uk for chem8@york.ac.uk by www.ccl.net (8.8.3/950822.1) id PAA06997; Mon, 23 Mar 1998 15:21:50 -0500 (EST) Received: from ebor.york.ac.uk (chem8@ebor.york.ac.uk [144.32.129.242]) by pump2.york.ac.uk (8.8.7/8.8.7) with SMTP id UAA05226 for ; Mon, 23 Mar 1998 20:21:30 GMT Date: Mon, 23 Mar 1998 20:21:29 +0000 (GMT) From: John Waite To: chemistry@www.ccl.net Subject: MolWin - where? Summary Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Last week I asked CCL if anyone knew the wherabouts of MolWin. My many thanks to all who replied, in particular E. Lewars and Prof. A. Bagatur'yants. This molecular viewing software is for PC's and is no longer available from oak.oakland.edu but is in CCL's archive at: /pub/chemistry/software/MS-WIN3/XYZ_viewer_for_Windows/ Thanks Jan. Happy computing to all John Dr. John Waite, e-mail: chem8@york.ac.uk * or The National Hellenic Research Foundation,* john@john1.eie.gr Organic and Pharaceutical Chemistry Institute, phone: ++30-1-7229811-5 X 1-810 Vas. Konstantinou 48, phone: ++30-1-7247913(secrtry. Mary) Athens 116-35, fax: ++30-1-7247913 Greece From CONNOLLY@CCTR.UMKC.EDU Mon Mar 23 18:19:46 1998 Received: from node01.cctr.umkc.edu for CONNOLLY@CCTR.UMKC.EDU by www.ccl.net (8.8.3/950822.1) id SAA08211; Mon, 23 Mar 1998 18:03:44 -0500 (EST) From: Received: from CCTR.UMKC.EDU by CCTR.UMKC.EDU (PMDF V5.1-8 #24655) id <01IV0HCMS38WJ6GY8X@CCTR.UMKC.EDU> for CHEMISTRY@www.ccl.net; Mon, 23 Mar 1998 17:03:30 CST Date: Mon, 23 Mar 1998 17:03:30 -0600 (CST) Subject: compiling gamess using gcc2.7.2.3.f.2 To: CHEMISTRY@www.ccl.net Message-id: <01IV0HCMSXDUJ6GY8X@CCTR.UMKC.EDU> X-VMS-To: IN%"CHEMISTRY@www.ccl.net" MIME-version: 1.0 Content-type: TEXT/PLAIN; CHARSET=US-ASCII I have a linux (kernel 2.0.15) box on which I compiled an older version gamess using gcc2.6.3. I now have a 'fortran aware' version of gcc and I am trying to compile the most recent version of gamess. I created actvte.x, apparently without incident, but the compile process is unsuccessful. If anyone knows what is going on I would appreciate some help. Thanks, JWC