From owner-nwchem-users@emsl.pnl.gov Tue Mar 28 08:16:47 2006 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.13.6/8.13.6) with ESMTP id k2SGGltf000304 for ; Tue, 28 Mar 2006 08:16:47 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.6/8.13.6/Submit) id k2SGGl8p000303 for nwchem-users-outgoing-0915; Tue, 28 Mar 2006 08:16:47 -0800 (PST) Date: Tue, 28 Mar 2006 09:15:42 -0700 From: Matthew Asplund Subject: Re: [NWCHEM] problem in setting basis library In-reply-to: To: JunJun Liu Cc: Gerardo Cisneros , "nwchem-users@emsl.pnl.gov" Message-id: <50553C4A-C2F5-4D47-B299-5FCA71F96885@byu.edu> MIME-version: 1.0 (Apple Message framework v746.3) X-Mailer: Apple Mail (2.746.3) Content-type: multipart/alternative; boundary=Apple-Mail-45--100898111 X-Scanned-By: MIMEDefang 2.54 on 192.168.200.10 References: Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk --Apple-Mail-45--100898111 Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=US-ASCII; delsp=yes; format=flowed Yeah. I spent several weeks fighting this same problem. Could we just add an extra '/' in the source code, so that this problem doesn't exist. Dr. Matthew Asplund Department of Chemistry and Biochemistry Brigham Young University Provo, UT 84602 (801) 422-5275 On Mar 28, 2006, at 9:12 AM, JunJun Liu wrote: > Oooh, right, I forgot! The manual does state this! Thank you very > much! > > On Tue, 28 Mar 2006 11:04:44 -0500, Gerardo Cisneros > wrote: > >> JunJun, >> >> You wrote: >>> [...] >>> ---Info. start--- >>> nwchem_basis_library /home/liu/nwchem-4.7/arch/default/data/ >>> libraries >>> ----Info. end---- >> >> I think you need to add a '/' at the end of all paths in .nwchemrc >> that are directories: >> >> nwchem_basis_library /home/liu/nwchem-4.7/arch/default/data/ >> libraries/ >> >> Saludos, >> >> Gerardo > > > > -- > JunJun Liu > > College of Chemistry > Central China Normal University > WuHan 430079 > P.R. China > --Apple-Mail-45--100898111 Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=ISO-8859-1 Yeah.=A0 I spent several weeks = fighting this same problem.=A0 Could we just add an extra '/' in the = source code, so that this problem doesn't exist.

Dr. Matthew = Asplund

Department of Chemistry and Biochemistry

Brigham Young = University

Provo, UT = 84602

(801) = 422-5275


On Mar 28, 2006, at 9:12 AM, = JunJun Liu wrote:

Oooh, right, I forgot! The = manual does state this! Thank you very much!

On Tue, = 28 Mar 2006 11:04:44 -0500, Gerardo Cisneros <gerardo@sgi.com> wrote:

JunJun,

You = wrote:
---Info. start---
nwchem_basis_library = /home/liu/nwchem-4.7/arch/default/data/libraries
----Info. end----

I think = you need to add a '/' at the end of all paths in .nwchemrc
that are directories:



Gerardo



--=A0
JunJun = Liu

College of Chemistry
Central = China Normal University
WuHan =A0 430079
P.R. China


= --Apple-Mail-45--100898111--