Shortnotes on Gamess Installation

Gamess Installation

Run the config script in /home/umunipala/research/gamess/games/gamess

After configuring goto

/home/umunipala/research/gamess/games/gamess/ddi

Run compdd script which generates the .x files

Create a temporary memory location /home/umunipala/research/gamess/games/gamess/ddi/temp

Run the ddi_test.x file

./ddikick.x /home/umunipala/research/gamess/games/gamess/ddi/ddi_test.x /home/umunipala/research/gamess/games/gamess/gamess.13.x gamess.13.x -ddi 1 1 griffin -scr /home/umunipala/research/gamess/games/gamess/ddi/temp

-------------------------------------------------------------------------------------------------------
Running from NetBeans

Highlight the project and goto Run window -> set project configuration-> customize

Give
./ddikick.x /home/umunipala/research/gamess/games/gamess/ddi/ddi_test.x /home/umunipala/research/gamess/games/gamess/gamess.13.x gamess.13.x -ddi 1 1 griffin -scr /home/umunipala/research/gamess/games/gamess/ddi/temp

---------------------------------------------------------------------------------------------------------
ddi configuration in ssh

Changed the write permission in scratch memory
/home/umunipala/research/gamess/games/gamess/ddi/temp
(I gave all rwx permissions) >> chmod 777 /home/umunipala/research/gamess/games/gamess/ddi/temp
Then run in 2 nodes in the cluster (after setting ssh & mpi)
>> /home/umunipala/research/gamess/games/gamess/ddi/ddikick.x /home/umunipala/research/gamess/games/gamess/ddi/ddi_test.x /home/umunipala/research/gamess/games/gamess/gamess.13.x gamess.13.x -ddi 2 4 172.16.0.1:cpus=2 172.16.0.1:cpus=2 -scr home/umunipala/research/gamess/games/gamess/ddi/temp