From owner-nwchem-users@emsl.pnl.gov Mon Dec 3 16:54:46 2007 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.14.1/8.14.1) with ESMTP id lB40sjVd008645 for ; Mon, 3 Dec 2007 16:54:46 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.14.1/8.14.1/Submit) id lB40si0r008644 for nwchem-users-outgoing-0915; Mon, 3 Dec 2007 16:54:44 -0800 (PST) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-Ironport-SG: OK_Domains X-Ironport-SBRS: 5.8 X-IronPort-Anti-Spam-Filtered: true X-IronPort-Anti-Spam-Result: AgAAADQ0VEdEjsbMnmdsb2JhbACCc4xbAQEBBwQGKQ X-IronPort-AV: E=Sophos;i="4.23,246,1194249600"; d="scan'208,217";a="39071100" X-YMail-OSG: lD1wxIkVM1lqErJpuk4zcqdadtexlZsjXY1noBCVc2tHuAOtLM3QevusRBN3KRJ8fWF9NFRk8eD56DCfZ6_QqoxNBtTIsQmNMIgQnSkwz190iPmqXUc- Mime-Version: 1.0 (Apple Message framework v752.3) To: nwchem-users@emsl.pnl.gov Message-Id: <803BCCE7-0324-4DBA-B29A-190897D2E543@uoregon.edu> Content-Type: multipart/alternative; boundary=Apple-Mail-7--620598723 From: Melanie Pitt Subject: [NWCHEM] More problems with NWChem on Intel Mac Date: Mon, 3 Dec 2007 16:58:53 -0800 X-Mailer: Apple Mail (2.752.3) Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk --Apple-Mail-7--620598723 Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=US-ASCII; delsp=yes; format=flowed Hello, I am having problems installing from source with gfortran using the procedure setenv NWCHEM_TOP /Applications/nwchem-5.0/nwchem-5.0/ setenv NWCHEM_TARGET MACX setenv NWCHEM_MODULES all cd $NWCHEM_TOP/src make nwchem_config make FC=gfortran After changing line 977 in pre_input.F to read(atomi(1:index(atomi,':')-1),'(i)') k I get the error message: gfortran -c -malign-double -O2 -ffast-math -Wuninitialized -funroll- all-loops -mtune=native -I. -I/Applications/nwchem-5.0/nwchem-5.0// src/include -I/Applications/nwchem-5.0/nwchem-5.0//src/tools/include - DMACX -DCHKUNDFLW -DGCC4 -DPARALLEL_DIAG get_psp_type.F get_psp_type.F:44.72: read(11,'(I)',ERR=9998,END=9998) psp_type 1 Error: Nonnegative width required in format string at (1) make[4]: *** [/Applications/nwchem-5.0/nwchem-5.0//lib/MACX/ libnwpwlib.a(get_psp_type.o)] Error 1 make[3]: *** [optimized] Error 2 make[2]: *** [subdirs] Error 1 make[1]: *** [subdirs] Error 1 make: *** [libraries] Error 1 Any insights? Melanie Pitt Department of Chemistry University of Oregon mpitt@uoregon.edu --Apple-Mail-7--620598723 Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=ISO-8859-1 Hello,
I am having problems installing from source with gfortran using the = procedure

setenv NWCHEM_TOP = /Applications/nwchem-5.0/nwchem-5.0/
setenv = NWCHEM_TARGET MACX
setenv = NWCHEM_MODULES all
cd = $NWCHEM_TOP/src
make = nwchem_config
make = FC=3Dgfortran

After changing line 977 in = pre_input.F =A0to=A0

read(atomi(1:index(atomi,':')-1),'(i)') k

I get the error = message:

gfortran -c = -malign-double -O2 -ffast-math -Wuninitialized -funroll-all-loops = -mtune=3Dnative =A0-I. = =A0-I/Applications/nwchem-5.0/nwchem-5.0//src/include = -I/Applications/nwchem-5.0/nwchem-5.0//src/tools/include -DMACX = -DCHKUNDFLW -DGCC4 -DPARALLEL_DIAG =A0 = get_psp_type.F
get_psp_type.F:44.72:

=A0=A0 =A0 =A0 = =A0read(11,'(I)',ERR=3D9998,END=3D9998) psp_type =A0 =A0 =A0 =A0 =A0 =A0 = =A0 =A0 =A0 =A0 =A0=A0
=A0=A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 = =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 = =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 1
Error: Nonnegative width = required in format string at (1)
make[4]: *** = [/Applications/nwchem-5.0/nwchem-5.0//lib/MACX/libnwpwlib.a(get_psp_type.o= )] Error 1
make[3]: *** [optimized] Error 2
make[2]: = *** [subdirs] Error 1
make[1]: *** [subdirs] Error = 1
make: *** [libraries] Error 1


Any = insights?

Melanie = Pitt
Department of Chemistry
University of = Oregon


 =

= --Apple-Mail-7--620598723--