From owner-chemistry@ccl.net Thu Apr 28 22:17:00 2011
From: "Fuming Ying fmying()gmail.com" <owner-chemistry^-^server.ccl.net>
To: CCL
Subject: CCL:G: FW CCL:G: install gaussian09 on ubuntu 9.04
Message-Id: <-44484-110428212125-32714-itSRKv7pqo9GdqlhdUFvjQ^-^server.ccl.net>
X-Original-From: Fuming Ying <fmying*o*gmail.com>
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Date: Fri, 29 Apr 2011 09:21:02 +0800
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Sent to CCL by: Fuming Ying [fmying[*]gmail.com]
There are lines in bsd/bldg09 like:

...
cc -o gau-machine $machflag bsd/machine.c
...
set x = `gau-machine`
echo "machine type is $x"
...
else if ("$x" == "amd64") then
...

This part is written to check the architecture of your machine to make
your Gaussian work properly.
Looks like either variable x is not saved or gau-machine cannot be
compiled correctly. Check the errors in your "make.log" to see if there
is some error occured when compiling gau-machine. What's more, could you
also check if compilers are prepared? like icc/ifort, gcc/gfortran etc.?
And the architecture of your machine with command
uname -a

BTW, is it essential to recompile Gaussian 09? Is your Gaussian 09
binary package? If so, there will NOT be any source code file in it and
compilation will definitely go wrong.


Best regards,
Fuming Ying

ÓÚ 2011/4/29 2:48, Serge Lavilier m.o.m*_*live.fr дµÀ:
> Sent to CCL by: "Serge  Lavilier" [m.o.m .. live.fr]
> Hi
> Thanks for reply
>  For  $ sudo apt-get install tcsh
> Ubuntu tel me that i have the last version !!
>
> After, i  doing
>
>
> $cd $g09root
> $chgrp -R Serge g09
> $cd g09
> $./bsd/install
> $source $g09root/g09/bsd/g09.profile  there is no error message
> $bsd/bldg09 >&make.log
>
> $ tail make.log
>
> if ( == hi_osf ) then
> if ( == hal ) then
> if ( == alpha-linux ) then
> if ( == ia64 ) then
> if ( == mac ) then
> if ( == gp7kf ) then
> exit bldg09 is confused
> exit: Expression Syntax.
>
> What's wrong ?
>
> Sent to CCL by: Herbert Fruchtl [herbert.fruchtl##st-andrews.ac.uk]
>  If he removes the "exit" in the third line, it should work.
>  He's starting csh and then exits it again, before trying to
>  source some csh commands.
>    H.
>  On 04/28/2011 02:48 PM, Fuming Ying fmying{}gmail.com wrote:
>  >
>  > Sent to CCL by: Fuming Ying [fmying!A!gmail.com]
>  >  2011/4/28 14:43, Serge Lavilier m-22#%#hotmail.fr
>  :
>  >> Sent to CCL by: "Serge  Lavilier" [m-22]~[hotmail.fr]
>  >> Hi,
>  >> I want to install gaussian09 on ubuntu 9.04
>  >>
>  >> $/bin/csh
>  >> %setenv g09root "/home/Serge/Gaussian"
>  >> %exit
>  >> $cd $g09root
>  >> $chgrp -R Serge g09
>  >> $cd g09
>  >> $./bsd/install
>  >> $source $g09root/g09/bsd/g09.login
>  >>
>  >> line 25: Erreur de syntaxe prs du symbole inattendu  setenv
>  >> bash: /home/Serge/gaussian/g09/bsd/g09.login: line 25: `if (! $?PGI )
>  setenv PGI /usr/pgi'
>  > It should be the problem that the keyword "setenv" can be
>  executed properly.
>  > Have you checked that the proper C shell (the package name should be
>  > tcsh) is installed in your ubuntu system? C shell will NOT be installed
>  > in Ubuntu by default so that you should install it manually with command
>  >
>  > sudo apt-get install tcsh
>  >
>  > Alternatively, there is a scripit "$g09root/g09/bsd/g03.profile"
>  which
>  > is written in Bash. Since bash is installed by default in Ubuntu, you
>  > can work with Gaussian 09 under Bash instead of C shell.
>  >
>  > After installation, type this command
>  > . $g09root/g09/bsd/g09.profile
>  > to set the environment variables under Bash before using g09. Of course,
>  > $g09root should be meaningful. This command can also be written in
>  > $HOME/.bashrc so that you don't have to type it every time you log in.
>  >
>  > Best regards,
>  > Fuming Ying
>  >
>  >> What's Wrong?>
>  >
>  --
>  Herbert Fruchtl
>  Senior Scientific Computing Officer
>  School of Chemistry, School of Mathematics and Statistics
>  University of St Andrews
>  --
>  The University of St Andrews is a charity registered in Scotland:
>  No SC013532>
>