From owner-nwchem-users@emsl.pnl.gov Sun Jan 8 23:15:16 2006 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.12.10/8.12.10) with ESMTP id k097FFkn023556 for ; Sun, 8 Jan 2006 23:15:16 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id k097FFb6023555 for nwchem-users-outgoing-0915; Sun, 8 Jan 2006 23:15:15 -0800 (PST) Date: Mon, 09 Jan 2006 16:15:01 +0900 From: =?ksc5601?B?v8DBpLz2?= Subject: RE: [NWCHEM] nwchem extensions are not found In-reply-to: To: "Windus, Theresa L" Cc: nwchem-users@emsl.pnl.gov Message-id: MIME-version: 1.0 X-Mailer: WorldClient 8.0.1 Content-type: text/plain X-Authenticated-Sender: soo5@fireworks.kist.re.kr X-Spam-Processed: fireworks.kist.re.kr, Mon, 09 Jan 2006 16:15:05 +0900 (not processed: message from valid local sender) X-Return-Path: soo5@fireworks.kist.re.kr X-MDaemon-Deliver-To: nwchem-users@emsl.pnl.gov X-MDAV-Processed: fireworks.kist.re.kr, Mon, 09 Jan 2006 16:15:07 +0900 References: Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Thank you for your coment. But I already read the document which you refer. What I am mostly concerninig problem is that I cannot find the nwchem.py file after installing nwchem-4.7 with python. On executing some of the examples in the nwchem-4.7 dir, nwchem.py# files are automatically created, but that can not solve my problem. Help me, plz. J.S. Oh -----Original Message----- From: "Windus, Theresa L" To: ??? , nwchem-users@emsl.pnl.gov Date: Thu, 05 Jan 2006 16:48:52 -0800 Subject: RE: [NWCHEM] nwchem extensions are not found > A couple of thoughts come to mind. However, the first question is, did > you read the "Building with python" part of the INSTALL file when you > did your build? If not, that is a good place to start. > > Theresa > > ________________________________ > > From: owner-nwchem-developers@emsl.pnl.gov > [mailto:owner-nwchem-developers@emsl.pnl.gov] On Behalf Of ??? > Sent: Monday, January 02, 2006 12:00 AM > To: nwchem-users@emsl.pnl.gov > Subject: [NWCHEM] nwchem extensions are not found > > > > > Hello all. > > I just installed nwchem-4.7 on linux cluster (RedHat advanced Server) > with kernel 2.6.9, myrinet gm-2.1.21, mpich-gm-1.2.6..14b, intel ifort > compiler 9.0, > and python 2.3. > > I succeeded installing nwchem and also successfully executed some of > the > parallel examples in the examples directory. > But I cannot run any examples related python. > Python is working collectly in my machine. > I also downloaded the Numeric extensions and Gnuplot extensions from > web sites. > > The only Gnuplot.py, mathutil.py in the contrib/python dir are working > when I testes on > my machine as follows > # python Gnuplot.py (some figures are screenout) > # python mathutil.py (some calculation results are printed out) > > Other .py files bring out errors that there is no nwchem extensions so > input_parse is not defined. > > From your doc., nwchem extensions shoule be automatically generated, > but I cannout find nwchem extentions nor nwchem.py files. > > How can I handle my problems? > Any comments will be greatly appreciated. > > J.S. Oh > > > > > >