Laboratory of Computational Medicine

The laboratory computing facilities consist in an heterogeneous environment of 3D Workstations, storage servers and an HPC (High Performance Computing) machines.

Our current HPC main cluster has the following features :

• 300 Intel Xeon E5-2650 v3 @ 2.30GHz CPUs (15 servers, 20 cores each)
• 24 NVIDIA GTX 980 GPUs (2 on each server)
• 6 NVIDIA GTX 1080 Ti GPUs (2 on each server)
• 192 AMD Opteron 6376 Piledriver CPUs (3 servers, 64 cores each)
• 96 AMD Opteron 6238 Interlagos CPUs (2 servers, 48 cores each)
  
• 12 TB Raw Disk Space (NetApp Filer FAS2020)
• 27 TB Net Disk Space (Synology Filer)

We also have a small cluster dedicated to Discovery Studio Virtual Screening that has :

• 144 AMD Opteron 6238 Interlagos CPUs (3 servers, 48 cores each)

The licensed software we mainly use in our laboratory :

• MOE (Molecular Operating Environment)
• Accelrys Discovery Studio
• AMBER
• Gaussian
  
• PyMOL

We also use Free Software like :

• Gromacs
• NAMD
• VMD