cp2k installation on Windows via wsl/ Ubuntu скачать в хорошем качестве

cp2k installation on Windows via wsl/ Ubuntu

Please share and subscribe #cp2k installation #cp2k compillation #cp2k QMMM Complete Guide to C2PK Installation: Boosting Your System's Performance In this step-by-step tutorial, we'll walk you through the entire process of installing C2PK on your system, from understanding the basics to executing the installation seamlessly. C2PK offers a unique approach to caching that significantly accelerates data access, resulting in faster boot times, quicker application launches, and smoother overall performance. Follows the detailed command line. You can also check it on www.chemvigyan.com Note: vijay will be replaced by your user name. Install prerequisites sudo apt-get install gfortran sudo apt-get install libopenblas-dev sudo apt install libblas-dev liblapack-dev sudo apt-get install ncbi-blast+ Now download the cp2k source code as wget https://github.com/cp2k/cp2k/releases... Now untar the downloads as tar -xf cp2k-2024.1.tar.bz2 change the directory for the installation script cd cp2k-2024.1/tools/toolchain sudo ./install_cp2k_toolchain.sh Now copy the compiled script as- sudo cp /home/vijay/cp2k-2024.1/tools/toolchain/install/arch/* cp2k-2024.1/arch/ To use the installed tools and libraries and cp2k version compiled with it you will first need to execute at the prompt: source /home/vijay/cp2k-2024.1/tools/toolchain/install/setup To build CP2K you should change directory as- cd cp2k-2024.1/ Now compile type this command make -j 12 ARCH=local VERSION="psmp sopt sdbg" cd /home/vijay/cp2k-2024.1/exe/local; ln -sf cp2k.ssmp cp2k_shell.ssmp cd /home/vijay/cp2k-2024.1/exe/local; ln -sf cp2k.ssmp cp2k.sopt Now to run the software: export PATH=${PATH}:/home/vijay/cp2k-2024.1/exe/local