RESOURCES

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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.

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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.

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