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.. _MedeAHardwareOptions:

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.. _HardOpt:


*MedeA* Hardware Options 
=========================

|medea|\ :sup:`®`\ [#TM]_ simulations may run on a laptop or desktop alongside standard office applications, on a dedicated multiprocessor workstation, or on a delocalized high performance compute cluster.  For any of these installation scenarios, *MedeA*'s three-tier architecture will make sure that hardware resources are used in an optimal way.


A truly flexible architecture
------------------------------

* All *MedeA* binaries are genuine 64-bit applications with ready-to-use binaries running under both Windows and Linux
* *MedeA* installs as a fully functional simulation environment on a single machine, and across available compute resources in client-server mode
* There’s no restriction on the amount of calculations or number of cpus when running computations with *MedeA*


.. image:: images/MedeASoftwareOverview.png
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   :alt: *MedeA*\ :sup:`®` integration
   :align: right
	   
Many supported platforms
--------------------------

* 64bit Linux/Windows desktops or laptop computers
  
.. * Windows 10/11, Windows Server
.. * Linux RedHat Enterprise, Oracle, SuSE, CentOS, Fedora, Ubuntu, Debian

Queuing system integration
--------------------------
 
* PBS/OpenPBS/Torque
* LSF
* GridEngine
* SLURM

Parallel execution and GPU support
----------------------------------

* IntelMPI
* OpenMP
* *NVIDIA* GPU support for selected engines and applications
   

Computer Specifications (last update 2026)
-------------------------------------------

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   * - Component
     - Requirement
   * - Operating system (oldest supported versions listed; newer versions also supported)
     - |windowsos|
       |linuxos|
   * - Architecture/Processor
     - All x86-64 bit architectures from Intel and AMD: Opteron, Ryzen, Zen, Core2, Core2Duo,
       i5, i7, i9, Xeon, etc. (ARM and Power8 are currently not supported natively).
   * - CPU speed
     - Strong floating-point performance required. No lower/upper hard limit on clock speed
   * - GPU
     - For best double-precision performance, NVIDIA Hopper, Ampere, and Tesla series (Kepler, Pascal, Volta, and Turing) are strongly recommended.
       For workstations and desktops, GeForce Titan V, Quadro GV100, and Quadro GP100 are recommended.
   * - Memory
     - 1–4 GB RAM per core; 4 GB/core is recommended for |vasp|; for more advanced
       |vasp| post-DFT or MLFF calculations 8 GB/core is recommended
   * - Disk space
     - |minGB| minimum for a full |medea| installation with some user generated data; no upper hard limit for
       user generated data
   * - Graphics
     - Support of OpenGL 3.3 and higher or OpenGL 4.0 and higher, to support transparent objects and at least 128 MB of memory
   * - Network
     - Fast Ethernet, 100 Mbps or faster if GUI/JS/TS are on different machines. No network access required if all three tiers are on the same machine.
   * - Display
     - Screen resolution of 1280x800 at minimum, recommended 1920x1080


.. note:: 
   MedeA provides optional |vasp| and |lammps| executables that run on NVIDIA GPUs with *compute capabilities* (see https://developer.nvidia.com/cuda-gpus ) ranging from 6.0 to 8.9. 
   When running on an NVIDIA GPU, performance is highly dependent on the GPU's *double-precision* floating-point performance (FP64). *Often, the performance of a GPU is 
   quoted for single-precision* (FP32), which is typically higher than for double-precision. On top-tier HPC GPUs, the *performance ratio* between *double-precision* and *single-precision*, 
   FP64:FP32, can be as high as *1:2* (e.g., NVIDIA H100, NVIDIA A100, NVIDIA Quadro GV100, NVIDIA Tesla V100). However, for non-optimized GPUs (such as the NVIDIA RTX 5000), the FP64:FP32 
   ratio may be significantly less favorablee, as low as *1:64*. Additionally, the GPU should have sufficient memory 
   for the task. 

   *For optimal performance, it is recommended that you run your calculations on
   dedicated optimized HPC GPUs. Otherwise the provided CPU executables will
   offer a better performance.*

   Verify the performance of your NVIDIA card on websites like TechPowerUp (https://www.techpowerup.com/gpu-specs/).


Learn more about *MedeA*: |databases|, |builders|, |engines|, |modules|, |highthroughput| and |urlanalysis|.

:greenbuttonA:`Learn more <MedeAEnvDTS>` :tealbutton:`Download PDF <../Datasheets/Datasheet-MedeAEnv.pdf>`

.. [#TM] |regTMinfo|