From owner-nwchem-users@emsl.pnl.gov Tue Oct 9 04:41:26 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 l99BfP3X010810 for ; Tue, 9 Oct 2007 04:41:26 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.14.1/8.14.1/Submit) id l99BfPqG010809 for nwchem-users-outgoing-0915; Tue, 9 Oct 2007 04:41:25 -0700 (PDT) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-Ironport-SG: No_SBRS X-Ironport-SBRS: None X-IronPort-Anti-Spam-Filtered: true X-IronPort-Anti-Spam-Result: Ao8CADIFC0egW/ba/2dsb2JhbAA X-IronPort-AV: E=Sophos;i="4.21,248,1188802800"; d="scan'208";a="34216789" Date: Tue, 9 Oct 2007 07:41:18 -0400 From: Michael Galloway To: Santanasidney Cc: NWChem Users Subject: Re: [NWCHEM] Please could you help me? Compiling Error in the util_ga_test subroutine Message-ID: <20071009114117.GE11934@sif.lsd.ornl.gov> References: <496b5c08f206301536890ac8fca87f15@quimica.ufpb.br> MIME-Version: 1.0 Content-Type: text/plain; charset=iso-8859-1 Content-Disposition: inline Content-Transfer-Encoding: 8bit In-Reply-To: <496b5c08f206301536890ac8fca87f15@quimica.ufpb.br> User-Agent: Mutt/1.5.13 (2006-08-11) Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk with the help of others here, i managed to get 5.0 built and one of the fixes i had to make was this: You need to edit $NWCHEM_TOP/src/util/util_ga_test.F at line 1419. Change it from call ga_locate_region(g_a, 1, n, 1,n, map,np) to status=ga_locate_region(g_a, 1, n, 1,n, map,np) see if that helps. -- michael On Tue, Oct 09, 2007 at 02:18:37AM -0300, Santanasidney wrote: > > Dear NWChem Users, > > Please could you help me? > > I am trying to compile the NWChem in a Intel Core 2 Duo, with Debian 4.0, > > and Intel Compilers (Ifort,Icc) or GNU Compilers (g77,gcc), but the > >  compiling process always stop in the subroutine util_ga_test.F in the src/util > >  directory. > > I am using the Global Arrays version 4.0.7. > > Please see below! > > ======================================= > The Enviromental Variables Defined are: > ======================================= > export LARGE_FILES=TRUE > export TCGRSH=/usr/bin/ssh > export NWCHEM_TOP=/programs/nwchem-5.0 > export NWCHEM_TARGET=LINUX > export NWCHEM_MODULES=all > > =============================================== > The Compilers, Gnu Make Version and Kernel are: > =============================================== > n1:/programs/nwchem-5.0/src# ifort -V > Intel(R) FortranCompiler for 32-bit applications, Version 9.1    Build 20070320Z Package ID: > Copyright (C) 1985-2007 Intel Corporation.  All rights reserved. > FOR NON-COMMERCIAL USE ONLY > > n1:/programs/nwchem-5.0/src# g77 -v > Reading specs from /usr/lib/gcc/i486-linux-gnu/3.4.6/specs > Configured with: ../src/configure -v --enable-languages=c,c++,f77,pascal --prefix=/usr --libexecdir=/usr/lib --with-gxx-include-dir=/usr/include/c++/3.4 --enable-shared --with-system-zlib --enable-nls --without-included-gettext --program-suffix=-3.4 --enable-__cxa_atexit --enable-clocale=gnu --enable-libstdcxx-debug --with-tune=i686 i486-linux-gnu > Thread model: posix > gcc version 3.4.6 (Debian 3.4.6-5) > > n1:/programs/nwchem-5.0/src# make -v > GNU Make 3.81 > Copyright (C) 2006  Free Software Foundation, Inc. > This is free software; see the source for copying conditions. > There is NO warranty; not evenfor MERCHANTABILITY or FITNESS FOR A > PARTICULAR PURPOSE. > This program built for i486-pc-linux-gnu > > n1:/programs/nwchem-5.0/src# uname -a > Linux n1 2.6.21.2 #2 SMP Thu May 24 17:21:30 BRT 2007 i686 GNU/Linux > in Debian GNU/Linux 4.0 > > ================================ > The GNU Compilers Error > ================================ > n1:/programs/nwchem-5.0/src# make > ... > f77 -c -fno-second-underscore    -fno-f90  -ffixed-line-length-72 -ffixed-form -malign-double -fno-globals -Wno-globals  -Wunused  -fno-silent -g  -I.  -I/programs/nwchem-5.0/src/include -I/programs/nwchem-5.0/src/tools/include -DLINUX -DPARALLEL_DIAG -DNEED_LOC -DJOBTIMEPATH=\"/programs/nwchem-5.0/bin/LINUX\" -DBYTE_SHORT_PACKING    util_ga_test.F >   util_ga_test: > util_ga_test.F: In subroutine `util_ga_test': > In file included from util_ga_test.F:22: > util_ga_test.F:24: warning: unused variable'status' >   check_dbl: >   check_complex: >   check_int: > util_ga_test.F: In subroutine `check_int': > /programs/nwchem-5.0/src/tools/include/global.fh:16: >          logical ga_locate_region >                  1 > util_ga_test.F:1419: (continued): >          call ga_locate_region(g_a, 1, n, 1,n, map,np) >               2 > Invalid declaration of or reference to symbol `ga_locate_region' at (2) [initially seen at (1)] >   check_flt: >   check_wrappers: > util_ga_test.F: In subroutine `check_wrappers': > In file included from util_ga_test.F:1149: > In file included from util_ga_test.F:2004: > util_ga_test.F:2006: warning: unused variable 'isum' >   check_mem: >   print_mem_info: >   my_lock: >   my_unlock: >   found: >   proc_remap: >   util_rfill: >   util_dfill: >   util_ifill: >   util_qfill: >   iran: > make[1]: *** [/programs/nwchem-5.0/lib/LINUX/libnwcutil.a(util_ga_test.o)] Error 1 > make: *** [libraries] Error 1 > Command exited with non-zero status 2 > 64.30user 16.20system 1:28.03elapsed 91%CPU (0avgtext+0avgdata 0maxresident)k > 0inputs+0outputs (107major+5350875minor)pagefaults 0swaps > > ================================ > The Intel Compilers Error > ================================ > n1:/programs/nwchem-5.0/src# make FC=ifort CC=icc > ... > ifort -c -align    -mp1 -w -g -vec_report3 -g  -I.  -I/programs/nwchem-5.0/src/include -I/programs/nwchem-5.0/src/tools/include -DLINUX -DIFCV8 -DIFCLINUX -DPARALLEL_DIAG -DNEED\ > _LOC -DJOBTIMEPATH=\"/programs/nwchem-5.0/bin/LINUX\" -DBYTE_SHORT_PACKING    util_ga_test.F > fortcom: Error: util_ga_test.F, line 1419: The CALL statement is invoking a function subprogram as a subroutine.   [GA_LOCATE_REGION] >       call ga_locate_region(g_a, 1, n, 1,n, map,np) > -----------^ > compilation aborted for util_ga_test.F (code 1) > make[1]: ***[/programs/nwchem-5.0/lib/LINUX/libnwcutil.a(util_ga_test.o)] Error 1 > make: *** [libraries] Error 1 > Command exited with non-zero status 2 > 38.73user 24.62system 1:11.93elapsed 88%CPU (0avgtext+0avgdata 0maxresident)k > 0inputs+0outputs (264major+10567419minor)pagefaults 0swaps > > > Thanks for any help ! > > Best regards, > > Sidney > ---- > Sidney Ramos de Santana > Laboratório de Química Quântica Computacional (LQQC) > Departamento de Química (DQ) > Centro de Ciências Exatas e da Natureza (CCEN) > Universidade Federal da Paraiba (UFPB) > Adress: Campus I - João Pessoa - PB - Brazil > Zipcode: 58.059-900 > e-mails: santanasidney@quimica.ufpb.br > santanasidney@yahoo.com.br