[CP2K-user] Installation CP2K

[Esam Elkandro]

Dear cp2k community,

I installed the cp2k under our three clusters and every time I don't get 
executable file "cp2k.psmp" to use it.  Even though, I run my calculations 
by using "cp2k.popt", however, these calculations is very slow and I don't 
see any difference if I use multi node comparing single node.  How to 
install the executable file "psmp"?   

Hint:  Our cluster has  more than 50 nodes and each node has 64 CPU. 
Please check my installation steps in two different clusters: 

#### 1st way ########
conda create --name cp2k
conda activate cp2k
conda install -c conda-forge cp2k
conda install -c conda-forge/label/cf202003 cp2k
conda update -n base -c defaults conda

#### 2nd way ######## 

source /opt/intel/bin/ifortvars.sh intel64
 
wget https://github.com/cp2k/cp2k/releases/download/v5.1.0/cp2k-5.1.tar.bz2
tar xvf cp2k-5.1.tar.bz2
cd cp2k-5.1/tools/toolchain/
./install_cp2k_toolchain.sh --install-all --with-mkl=system

cd ~
cp /root/cp2k-5.1/tools/toolchain/install/arch/* cp2k-5.1/arch/
source /root/cp2k-5.1/tools/toolchain/install/setup
 
cd cp2k-5.1
make -j 28 ARCH=local VERSION="sopt sdbg ssmp popt pdbg "


Best,
Esam
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