certified systems for amber molecular dynamics · 2. molecular dynamics (hpc systems). hpc systems...
TRANSCRIPT
Workstations LinuxVixionbased on GPU
Certified Systems for Amber Molecular
Dynamics Molecular Dynamics
Madrid, 2016www.linuxvixion.com
1. Introduction.
LinuxVixion, S.L, is a Spanish Company created in 2002. We are specialistin the supply of Computing System of Special Design, based on Linux OSand configured for scientific calculations as well as data acquisition inmeasurement processes. Our customers are the main Spanish ResearhOrganizations, as Consejo Superior de Investigaciones Científicas (CSIC),IFF (CSIC), IQO (CSIC), IMAT (CSIC) CEDEX (Civil Works Ministry), BilbaoPort, Spanish Universities, Holland University, etc.
2. Molecular Dynamics (HPC systems).
HPC Systems (High Performance Computing) installed for MolecularDynamics Simulations, has been very well wellcomed by our customers,because we configure hardware and software as a turnkey system,according to their specifications and needs.
Typical software packages are:
AMBER
Maestro (Schrödinger)
MGLTools
Autodock
Autodock Vina
CCPN Analysis
CARA
VMD
DSViusalizer
PHENIX
In Macromulecule Cristalografy we install Software needes to analys yprocess Xray difraction data, beiing PHENIX the most representative.
3. CUDA Systems AMBER Certified.
AMBER is without doubt, the Molecular Dynamics software most usednowdays. LinuxVixion, S.L., has a colaboration agreement with AMBER,
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Scientific Computing Systems. Workstations based on GPU. AMBER Certified
developers, being the only Spanish Company providing AMBERCERTIFIED SYSTEMS based on the use of GPU's Cards. That means weconfigure and execute the exclusive tests to warranty the correctperformance of the GPU's Cards to be uses as a true SupercomputerDesktop.
AMBER is a key application in molecular dynamics used to simulatebiocatalysis and the interaction between drug candidates and proteinreceptors. An exemplary feature of AMBER is the ability to use NVIDIAGPUs to massively accelerate complex molecular simulations. Thismassively enhances sampling efficiency, improves research accuracy,enables more advanced science, and speeds up the research process.
The main driving force behind the AMBER_GPU development has beento bring supercomputer power and performance to individual desktopswith an economical price, high power efficiency and designed tobenefit the widest range of researchers.
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Scientific Computing Systems. Workstations based on GPU. AMBER Certified
LinuxVixion, S.L. in collaborations with the AMBER development Teamprovides solutions using GPU’s with an optimal ratio quality/price thatallows us to compete with Campus Clusters ans Supercomputers.
That solutions allows Scientiest and Researchers to work in their projectswithout worry about hardwaresoftware configurations..
4. Turn-key Systems.
All of our systems are delivered ready to use inmediately. We setup theWorkstation parameters such as Networking, Users creation, Backupautomated sytem,
Users configuration.
Networking, hostname, DNS's, etc....
Services.
Data migration
Virtual Machines Installations
Remote access configuration.
Automated Data Backup
5. Assembled under ISO 9001
Now LinuxVixion S.L. Workstations are assembled accodring ISO 9001and IQNET normative. The equipment components are from the firstbrands and are approved and international authorized: Intel, AMD,Gigabyte, Kingston, Seagate, Western Digital, ASUS, Tyan, Supermicro,Cooler Master, Corsair, etc.
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Scientific Computing Systems. Workstations based on GPU. AMBER Certified