How to use QUANTUM ESPRESSO on new GPU based HPC systems
13 May 2020 - 13 May 2020
Pisa, Italy
Description and scope
New HPC clusters based on accelerators will soon enter the production phase. These machines are conceptually different from most of those previously employed by Quantum ESPRESSO users. The MaX European Centre of Excellence is working to prepare Quantum ESPRESSO for the new and forthcoming architectures. This webinar will provide an update on the status of the GPU version of Quantum ESPRESSO and on the roadmap for its future evolution. It will also provide a basic set of instructions on how to tune and use the code efficiently on these new HPC systems.
Quantum ESPRESSO is a collection of codes for electronic structure computations widely used in the materials research community. Its HPC users are typically accustomed to machines based on massive MPI parallelism and often need to acquire more familiarity with heterogeneous machines based on GPUs. The webinar will provide a broad view of the different versions of the Quantum ESPRESSO code, where to get them and where to use them. Following a general introduction, the webinar will focus on how to obtain an optimal performance from Quantum ESPRESSO on these new systems. An introductory talk will provide basic instructions on how to manage the resources on GPU based machines, followed by a tutorial explaining how to compile and tune up our codes.
Register now! https://zoom.us/webinar/register/WN_HIVov7R5QCakG0_fi8aK9Q
Who should attend
Quantum ESPRESSO users, particularly those who plan to start working on new heterogeneous systems. The second part of the webinar is planned to provide more specific information needed by users with allocated compute time on heterogeneous HPC systems (PRACE, ISCRA, etc...).
Key Takeaways
> Status and features of Quantum ESPRESSO running on GPU based systems
> How to use optimally Quantum ESPRESSO on heterogeneous HPC systems
> How to compile and tune-up Quantum ESPRESSO for GPUs, which tools and libraries are needed.
Key Speakers
> Pietro Delugas, SISSA
> Fabio Affinito, CINECA
> Pietro Bonfá, Uni Parma & CNR Nano
To know more about the exciting agenda, visit the official webinar page:
http://www.max-centre.eu/webinar/how-use-quantum-espresso-new-gpu-based-hpc-systems
Book your spot at www.max-centre.eu/webinar
New HPC clusters based on accelerators will soon enter the production phase. These machines are conceptually different from most of those previously employed by Quantum ESPRESSO users. The MaX European Centre of Excellence is working to prepare Quantum ESPRESSO for the new and forthcoming architectures. This webinar will provide an update on the status of the GPU version of Quantum ESPRESSO and on the roadmap for its future evolution. It will also provide a basic set of instructions on how to tune and use the code efficiently on these new HPC systems.
Quantum ESPRESSO is a collection of codes for electronic structure computations widely used in the materials research community. Its HPC users are typically accustomed to machines based on massive MPI parallelism and often need to acquire more familiarity with heterogeneous machines based on GPUs. The webinar will provide a broad view of the different versions of the Quantum ESPRESSO code, where to get them and where to use them. Following a general introduction, the webinar will focus on how to obtain an optimal performance from Quantum ESPRESSO on these new systems. An introductory talk will provide basic instructions on how to manage the resources on GPU based machines, followed by a tutorial explaining how to compile and tune up our codes.
Register now! https://zoom.us/webinar/register/WN_HIVov7R5QCakG0_fi8aK9Q
Who should attend
Quantum ESPRESSO users, particularly those who plan to start working on new heterogeneous systems. The second part of the webinar is planned to provide more specific information needed by users with allocated compute time on heterogeneous HPC systems (PRACE, ISCRA, etc...).
Key Takeaways
> Status and features of Quantum ESPRESSO running on GPU based systems
> How to use optimally Quantum ESPRESSO on heterogeneous HPC systems
> How to compile and tune-up Quantum ESPRESSO for GPUs, which tools and libraries are needed.
Key Speakers
> Pietro Delugas, SISSA
> Fabio Affinito, CINECA
> Pietro Bonfá, Uni Parma & CNR Nano
To know more about the exciting agenda, visit the official webinar page:
http://www.max-centre.eu/webinar/how-use-quantum-espresso-new-gpu-based-hpc-systems
Book your spot at www.max-centre.eu/webinar
Keywords
HPC, materials design, GPU, materials research, MaX flagship codes, exascale
