gaussian 03安装经验

my pc

installed windows and

ubuntu both,but

most of

my time

isdevoted

to windows

because gaussian and

gaussview

is very difficultto install under ubuntu.

most of the new linux are too new and don't content thenecessary old libraries,so it's a

bit difficult to install gaussian&

gaussview

Ubuntu 8.04 ,debian 4.04 ,centos 5.2 can't run them directly

but,it's true I want to do my work under linux and to devote mylife to linux. so I sepnt

almost two whole days to fix theproblem,at last I made it.

my account is bigant , the home directory is /home/bigant

I want to install Gaussian in /home/bigant/g03

and install GaussView in /home/bigant/gv

first my gaussian is a file,

------------------ ---------------------------------

$$ tar zxvf #uncompress the file

------------ -------------------------------------

edit my acount's .bashrc file

------------------------------------------------ -

$$ cd ~

$$ cat >> ~/.bashrc<<

#I use gaussian 03 linux version,so I need configures asbelow

export GAUSS_EXEDIR=/home/bigant/g03

export g03root=/home/bigant

export LD_LIRBARY_PATH=$$LD_LIBRARY_PATH:/home/bigant/g03

export PATH=/home/bigant/g03:$$PATH

export GAUSS_SCRDIR=/tmp

EOF

$$source .bashrc

------------ --------------------------------------------

then run g03

--------------- -------------------------

$$ cd g03

$$ ./g03

-------------------- ---------------------

if

it report errors

like: error

while

loading

shared

libraries:: cannot open shared

object file: No such file ordirectory

someone say create a file /etc/.d/

add the directory that contents the ,and that is/home/bigant/g03/

then

$$/sbin/ldconfig -v

but it did'nt work,so I copy the to /usr/lib/

and if the report errors like this again,I copied the *.so to/usr/lib again

it true works

(under ubuntu ,it's a bit difficult to get the *.so file from therpm file,I did this by

$$ sudo apt- get install alien

$$ alien *.rpm change the *.rpm to *.deb