***TCCW 2023 | Ubuntu***

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~~~ DOWNLOAD LINKS ~~~

-> https://orcaforum.kofo.mpg.de/
-> https://www.open-mpi.org/

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# 1. Open a terminal -> ctrl + alt + T

NOTE ->
	Copy from terminal:		Ctrl + Shift + C
	Paste into terminal:	Ctrl + Shift + V

# 2. Go to home directory

cd $HOME

# 3. Create "CC" Folder

mkdir CC/

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# Installing ORCA

# 1. Go to the directory where ORCA was downloaded

cd $HOME/Downloads

# 2. Extract the downloaded files into $HOME/CC/:

tar -xvf orca_5_0_3_linux_x86-64_shared_openmpi411.tar.xz --directory=$HOME/CC/

# 3. Rename the extracted folder:

mv $HOME/CC/orca_5_0_3_linux_x86-64_shared_openmpi411 $HOME/CC/orca503s

# 4. Add the ORCA 5.0.3 to system PATH:

echo 'export PATH="$HOME/CC/orca503s:$PATH"'  >> ~/.bashrc; source ~/.bashrc

echo 'export LD_LIBRARY_PATH="$HOME/CC/orca503s:$LD_LIBRARY_PATH"'  >> ~/.bashrc; source ~/.bashrc

-> restart terminal

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# Installing OpenMPI

# 1. Create "openmpi411" Folder:

mkdir $HOME/CC/openmpi411

# 2. Go to the directory where OpenMPI was downloaded

cd $HOME/Downloads

# 3. Extract the archive file:

tar -xvzf openmpi-4.1.1.tar.gz

# 4. Go to the OpenMPI directory:

cd $HOME/Downloads/openmpi-4.1.1

# 5. Configure the OpenMPI files

./configure --prefix=$HOME/CC/openmpi411/

# 6. Install the OpenMPI

make all install

# 7. Add the OpenMPI to system PATH:

echo 'export PATH="$HOME/CC/openmpi411/bin:$PATH"'  >> ~/.bashrc; source ~/.bashrc

echo 'export LD_LIBRARY_PATH="$HOME/CC/openmpi411/lib:$LD_LIBRARY_PATH"'  >> ~/.bashrc; source ~/.bashrc

-> restart terminal

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