From owner-nwchem-users@emsl.pnl.gov Tue Aug 31 13:00:26 2004 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 i7VK0QcF021191 for ; Tue, 31 Aug 2004 13:00:26 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id i7VK0PNR021188 for nwchem-users-outgoing; Tue, 31 Aug 2004 13:00:25 -0700 (PDT) Date: Tue, 31 Aug 2004 12:59:30 -0700 From: "Windus, Theresa L" Subject: RE: system wide nwchemrc To: "Apra, Edoardo" , Matthew Asplund Cc: nwchem-users Message-id: MIME-version: 1.0 X-MIMEOLE: Produced By Microsoft Exchange V6.5.7226.0 Content-type: text/plain; charset=us-ascii Thread-Topic: system wide nwchemrc Thread-Index: AcSPlL5ICD04IHskQT+BUXAMwtauggAAC5YQ Content-class: urn:content-classes:message X-MS-Has-Attach: X-MS-TNEF-Correlator: X-OriginalArrivalTime: 31 Aug 2004 19:59:30.0968 (UTC) FILETIME=[075D7180:01C48F95] Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by odyssey.emsl.pnl.gov id i7VK0OcF021183 Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Another possible solution is to make the basis and MD libraries available on a shared space and point to that. Theresa -----Original Message----- From: owner-nwchem-developers@emsl.pnl.gov [mailto:owner-nwchem-developers@emsl.pnl.gov] On Behalf Of Apra, Edoardo Sent: Tuesday, August 31, 2004 12:49 PM To: Matthew Asplund Cc: nwchem-users Subject: Re: system wide nwchemrc Matthew Asplund wrote: > I have a problem similar to SCRATCH_DIR, but > mine is that I have three machines that share a home directory, but > nwchem is installed in different places. I can have an .nwchemrc file > which works for one machine, but not for all three. Is there a way to > have either a system-wide nwchemrc file, or to set environment > variables which point to an .nwchemrc file, or sets the library path > outside of the nwchemrc file? > > Matthew asplund > Matthew you can get this to work by using the NWCHEM_BASIS_LIBRARY environmental variable. If you are using csh/tcsh, you would need a .cshrc containing the following lines if(`hostname` == node1) then setenv NWCHEM_BASIS_LIBRARY /homenode1/nwchem/src/basis/libraries/ endif if(`hostname` == node2) then setenv NWCHEM_BASIS_LIBRARY /homenode2/nwchem/src/basis/libraries/ endif if(`hostname` == node3) then setenv NWCHEM_BASIS_LIBRARY /homenode3/nwchem/src/basis/libraries/ endif -- Edoardo Apra` - PNNL - P.O. Box 999, MS K8-91 - Richland, WA 99352 Tel +1-509-376-1280 Fax +1-509-376-0420