Step 1. Configure This guide is intended to help users build VASP* (Vienna Ab-Initio Package Simulation) using Intel® oneAPI Base and HPC Toolkit on Linux* platforms. VASP is a package for performing ab-initio quantum-mechanical molecular dynamics (MD) using pseudopotentials and a ...
The nuclear lamina—a meshwork of intermediate filaments termed lamins—is primarily responsible for the mechanical stability of the nucleus in multicellular organisms. However, structural-mechanical characterization of lamin filaments assembled in situ remains elusive. Here, we apply an integrative approach ...
Note This is an update for VASP 6.x with oneAPI. Prerequisites Download Intel® oneAPI Base Toolkit and Intel® HPC Toolkit from Intel® Toolkits. Step 2. Extract VASP Files To extract the VASP files, use the following command: $tar –xvzf vasp.6.4.3.tgz This creates vasp...
Note This is an update for VASP 6.x with oneAPI. Prerequisites Download Intel® oneAPI Base Toolkit and Intel® HPC Toolkit from Intel® Toolkits. Step 2. Extract VASP Files To extract the VASP files, use the following command: $tar –xvzf vasp.6.4.3.tgz This creates vasp.6.4.3 di...
NoteThis is an update for VASP 6.x with oneAPI. Prerequisites Download Intel® oneAPI Base Toolkit and Intel® HPC Toolkit fromIntel® Toolkits. Step 2. Extract VASP Files To extract the VASP files, use the following command: $tar –xvzf vasp.6.4.3.tgz ...
Moreover, we carried out the simulation using a 40 core Dell Precision T7610 workstation equipped with an Intel Xeon E5-2680v2 CPU at 2.80 Ghz and 256 GB RAM and an 8 core Dell Precision M3800 laptop equipped with an Intel Core i7-4702HQ CPU at 2.20 Ghz and 16 GB RAM, with all ...