My pc installed windows and ubuntu both,but most of my time is devoted to windows because gaussian and gaussview is very difficult to install under ubuntu.
most of the new linux are too new and don’t content the necessary 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 my life to linux. so I sepnt almost two whole days to fix the problem,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 tar.gz file,
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$ tar zxvf g03.tar.gz #uncompress the file
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edit my acount’s .bashrc file
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$ cd ~
$ cat >> ~/.bashrc <<“EOF”
#I use gaussian 03 linux version,so I need configures as below
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
$source .bashrc
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then run g03
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$ cd g03
$ ./g03
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if it report errors like: error while loading shared libraries: util.so: cannot open shared object file: No such file or directory
someone say create a file /etc/ld.so.conf.d/gaussian.conf
add the directory that contents the util.so,and that is /home/bigant/g03/
then
$/sbin/ldconfig -v
but it did’nt work,so I copy the util.so 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 the rpm file,I did this by
$ sudo apt-get install alien
$ alien *.rpm change the *.rpm to *.deb
$ dpkg-deb -x *.deb ./
this uncompressed the rpm files in the same directory)
i use root to copy the file, bigant can not run g03,so root do so
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# chmod a+rx /usr/util.so
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if g03 report g03 can not locate *.exe,
use this
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# chomod a+rx /home/bigant/g03/*.exe
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and if g03 report errors
Erroneous write during file extend. write 448 instead of 4096
Probably out of disk space.
Write error in NtrExt1: No such file or directory
I use this to modify the kernel
# echo 0>/proc/sys/kernel/randomize_va_space
if you don’t want to do it everytime after you restart you pc
you can add this command to /etc/rc.local
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Install gaussview
modify the init_gv.bash
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export GV_DIR=’/home/bigant/gv/’
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then
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$ cat ~/gv/init_gv.bash >> ~/.bashrc
$ source .bashrc
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if you encount the errors like:error while loading shared libraries……….
you can copy the *.so* file to /usr/lib
if you can’t find the specific *.so you can search it in http://rpm.pbone.net/ download the rpm and umcompress it (it’s better not install it)
copy the specific *.so to /usr/lib
after that , you can run gv with $ gv & or $ gview &