Service List

The complete list of services that form the cscs2go platform appears below.

While CSCS offers additional services, only the services listed here are supported.

 

Service availability may change without notice. The authoritative status of each service is defined on the web page indicated under ‘Additional Information’.

User Management

Service Description Additional information
User Account Each user is identified by a personal account that can be used to access the resources provided within a project Link »
Project Access to the platform is granted via projects. Every project is managed by a Group Leader. Usage of such resources is debited against the project Link »

Computing

Service Description Additional information
Node-hours (Multicore) Computing hours on a multicore partition (Cray XC40) of the Piz Daint supercomputer Link »
Node-hours (Hybrid) Computing hours on a CPU/GPU hybrid partition (Cray XC50) of the Piz Daint supercomputer Link »

Storage

Service Description Additional information
Home Directory Every user is assigned their own home directory with sufficient storage space to store codes and documents (/home) Link »
Online Storage A shared parallel file system to store project data (/store) Link »
Scratch Storage Workspace for temporary storage during calculations (/scratch) Link »
Data Mover Bi-directional data transfer services between /scratch and /store and between /store and any external location Link »

Data Science and Machine Learning

Service Description Additional information
Spark Apache Spark is a fast general engine for large-scale data processing Link »
TensorFlow TensorFlow is an open-source software library for numerical computation using data flow graphs Link »
Theano Theano is a Python library that allows efficient definition, optimisation and evaluation of mathematical expressions involving multi-dimensional arrays Link »

Scientific Applications

Service Description Additional information
Amber Amber (Assisted Model Building with Energy Refinement) is a collective name for a suite of programs that allow users to carry out molecular dynamics simulations, particularly on biomolecules Link »
CP2K CP2K is a program to perform atomistic and molecular simulations of solid state, liquid, molecular, and biological systems Link »
CPMD The CPMD code is a plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.

Please note that a license has to be acquired from CPMD separately

Link »
GROMACS GROMACS is a versatile package for performing molecular dynamics, i.e. to simulate the Newtonian equations of motion for systems with hundreds to millions of particles Link »
LAMMPS LAMMPS is a classical molecular dynamics code that models an ensemble of particles in a liquid, solid, or gaseous state Link »
NAMD NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems Link »
Quantum ESPRESSO Quantum ESPRESSO is an integrated suite of open-source computer codes for nanoscale electronic structure calculations and materials modelling Link »
VASP The Vienna Ab initio Simulation Package (VASP) is a codefor atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.

Please note that a license has to be acquired from VASP separately

Link »

Programming Environment

Service Description Additional information
Cray Compiler The Cray Compiling Environment (CCE) is a release of the Cray Fortran and Cray C compilers for use on x86-based Cray systems Link »
Intel Compiler Intel compilers produce optimised code that can run significantly faster by taking advantage of the ever-increasing core count and vector register width of Intel processors Link »
GNU Compiler The GNU Compiler Collection (GCC) includes the GNU Fortran compiler (gfortran), C (gcc) and C++ (g++) compilers Link »
PGI Compiler The PGI compiler suite includes Fortran 77, Fortran 90/95, C and C++ compilers Link »
DDT Debugger DDT provides source-level debugging of Fortran, C, and C++ codes Link »
CrayPat Performance Tool CrayPat is a performance analysis tool developed by Cray for CSCS production systems Link »
VI-HPS Performance Tool The mission of the Virtual Institute - High Productivity Supercomputing (VI-HPS) is to improve the quality and accelerate the development process of complex simulation codes in science and engineering that are being designed to run on highly-parallel computer systems Link »
NVIDIA SDK Performance Tool NVIDIA profiling tools and APIs for understanding and optimising the performance of CUDA and OpenACC applications Link »
Easy Build Framework EasyBuild is a software installation framework in Python that allows you to install software in a structured and robust way Link »

Support

Service Description Additional information
Basic Support Support related to utilisation of existing services, account management and invoicing Link »