From owner-nwchem-users@emsl.pnl.gov Mon Dec 18 03:00:36 2006 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.13.8/8.13.8) with ESMTP id kBIB0Z9n012169 for ; Mon, 18 Dec 2006 03:00:36 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.8/8.13.8/Submit) id kBIB0ZeR012168 for nwchem-users-outgoing-0915; Mon, 18 Dec 2006 03:00:35 -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: 3.5 X-IronPort-Anti-Spam-Filtered: true X-IronPort-Anti-Spam-Result: AgAAAPYDhkWUT1CJh2dsb2JhbACNbwEBCQ4q X-IronPort-AV: i="4.12,182,1165219200"; d="scan'208"; a="10223416:sNHT23184273" X-DL-MFrom: X-DL-Connect: X-MimeOLE: Produced By Microsoft MimeOLE V6.00.3790.2757 Content-Class: urn:content-classes:message MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Subject: RE: [NWCHEM] compiling NWChem on Intel Mac with gfortran - old compiler needed Date: Mon, 18 Dec 2006 11:00:08 -0000 Message-ID: Importance: normal In-Reply-To: <4586009F.1060005@seti.org> X-MS-Has-Attach: X-MS-TNEF-Correlator: Thread-Topic: [NWCHEM] compiling NWChem on Intel Mac with gfortran - old compiler needed thread-index: AcciURy4+OfPFeK3SKu/5L+jW6KXrgAPysrA From: "Van Dam, HJJ \(Huub\)" To: X-OriginalArrivalTime: 18 Dec 2006 11:00:09.0014 (UTC) FILETIME=[AEB76560:01C72293] X-CCLRC-SPAM-report: -4.9 : BAYES_00 X-Scanned-By: MIMEDefang 2.37 Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by mserv6.dl.ac.uk id kBIB09tr000346 Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hi Adrian, You are right in that the gfortran and g95 compilers are very particular about character variables and character constants (this is not Mac specific). As far as I know there is absolutely no way you can assign an integer value to a character variable, nor can you assign a character value to an integer variable. In the line of code the compiler refers to the code tries to set the variable xtab to the value of the tab character. The particular version of that initialization was intended for the g77 compiler. There are a few other options in the same location. You could try one of the other lines. Another thing that often works is to use C-language escape sequence for the character in question in this case that would be '\t'. The bottom line is that someone will have to change the code or the preprocessor options otherwise this code will not compile with gfortran or g95. Good luck, Huub ========================================================== Huub van Dam (h.j.j.vandam@dl.ac.uk, +44-1925-603933) ========================================================== -----Original Message----- From: owner-nwchem-developers@emsl.pnl.gov [mailto:owner-nwchem-developers@emsl.pnl.gov] On Behalf Of Adrian Brown Sent: 18 December 2006 02:45 To: nwchem-users@emsl.pnl.gov; René Kanters Subject: [NWCHEM] compiling NWChem on Intel Mac with gfortran - old compiler needed Hi all, I am trying to compile NWChem on my Intel Mac running OSX 10.4.8. I downloaded gfortran from here: http://www.macresearch.org/xcode_gfortran_contest_winner_damien_bobillot I also tried a version of gfortran from here later, with the same results: http://hpc.sourceforge.net/ My compilation used the following settings, using make 3.80: LARGE_FILES=TRUE NWCHEM_TARGET=MACX NWCHEM_MODULES="all plane_wave nwpw" The compilation starts ok, but then I get an error that makes me think the gfortran compiler might be the source of the problem, excerpt from make.log is below. I was wondering if anyone knew a fix to this problem or maybe the location of an older version of gfortran for the intel mac? Thanks to Rene Kanters, who directed me to the gfortran site, but I couldn't find an early version of the intel mac gfortran code so far ... maybe if anyone has one lying around in their Trash Bin they could send it to me? Thanks, Adrian ... Making libraries in inp cc -c -I. -I/Applications/nwchem-5.0/src/include -I/Applications/nwchem-5.0/src /tools/include -DMACX -DPARALLEL_DIAG -Wall -no-cpp-precomp -g -o c_inp.o c_in p.c /usr/local/bin/gfortran -c -g -I. -I/Applications/nwchem-5.0/src/include -I/A pplications/nwchem-5.0/src/tools/include -DMACX -DPARALLEL_DIAG hnd_rdfree.F /usr/local/bin/gfortran -c -I. -I/Applications/nwchem-5.0/src/include -I/Appl ications/nwchem-5.0/src/tools/include -DMACX -DPARALLEL_DIAG inp.F In file inp.F:21 data xtab /9/ ! Tab ... g77 has trouble with escape se 1 Error: Incompatible types in assignment at (1), INTEGER(4) to CHARACTER(1) make[2]: *** [/Applications/nwchem-5.0/lib/MACX/libnwcutil.a(inp.o)] Error 1 make[1]: *** [optimized] Error 2 make: *** [libraries] Error 1