Can you simply run:
nwchem myinput.nw
and post the output on your screen. It should show startup of NWChem (at least).
Bert
Quote: Jan 18th 10:22 pmDear All
I downloaded NWchem 6 binaries (tarbz2) format and extracated it in CENTOS 5 Linux 64bit using this commond:
tar -xjvf Nwchem-6.0-xxx.tarbz2
The path for nwchem folder is /root/nwchem
Then in directory /root/nwchem/etc/ I used this commond:
ln -s /usr/local/NWChem/etc/default.nwchemrc $HOME/.nwchemrc
Also when the tar file is extracted only these directories are created:
bin etc QA usr.local.lib.nwchem examples
There is no directory named classes
Also the following commond is not known in this linux:
setenv ......
I used this line instead:
export NWCHEM_NWPW_LIBRARY="PATH: /usr/local/lib/NWChem/data/"
but when I run the nwchem executable wth this line:
nwchem myinput.nw >& myinput.out &
nwchem is not running and an empty myinput.out file is created. What is wrong? How I can solve this problem? I appreciate your help. |