Dr. Osuna group has recently purchased the GALATEA supercomputer for performing extensive Molecular Dynamics simulations (thanks to ERC-2015-StG-679001 project):
GALATEA supercomputer with 352 Intel Xeon CPUs and 178-NVIDIA GTX1080, which provide a total of 1.2 PFlops of computer power.
We have access to the following supercomputing facilities:
-IQCC local CPU machine called beta with Gaussian09, ADF2015, Amber14, among other computational packages.
-Our brand new GPU cluster called BioComp, purchased thanks to the CIG contribution with Amber14, MSMbuilder, pyEMMA, Bio3d, Pymol, DynaComm.py installed (among others).
-Access through research projects to the GPU and CPU facilities of the Barcelona Supercomputing Center (BSC) (PI: Houk-Osuna, Nov 2014-Feb 2015). We have now submitted more proposals to get access to the GPU machine (expected resolution: end of June 2015).
-Access to the CPU cluster called CESCA.