Chemistry and Chemical Engineering Departments (2008-Today)

Users has been steadily facing with mainly about unification of usage, parallelization and management problems. A work has been started for increasing the capability of existing performance and the overcome problems that faced on Linux HPC system side in the Chemistry and Chemical Engineering Departments of Bogazici University which is one of leading university of our country.

In this respect, updating of hardware and software for existing system in addition to the performance increasing studies have been designed and commissioned.

Infiniband performans network has been established and replaced with gigabit network. Soon after, Lustre Parallel File System has been deployed & integrated to the HPC infrastructure.

Troubles and difficulties on performance side that are faced overcome by re-designing existing systems. The software widely used in HPC processes like Gaussian, TCPLinda, Amber, Moe, Molden, Charmm, Spartan, Vmd, Namd, Gamess have been synchronized in systems.

Providing support related to systems still on going under maintenance agreements.

Infrastructure

Hardware : 25 HPC server (Mainly HP oriented servers, ie, DL38x, DL58x, 4 lustre server) More than half of the systems including PFS server has been bought from CompecTA.

Network : DDR Infiniband Performance Network with voltaire infiniband switch ISR 9024D-M

File System : Lustre 2.x PFS with 2 MDS (clustered services),2 OSS with 6 TB filesystem size

Platform : RedHat Enterprise Linux 5.x

Workload & Resource Manager, Job Schedular, MPI : OpenPBS, Torque, Open-MPI, TCP/Linda

Cluster Management Software : None,

Applications : Gaussian, TCPLinda, GaussView, Amber, Moe, Molden, Charmm, Spartan, Vmd, Namd, Gamess

Related Products

Lustre, InfiniBand, Torque, Maui, HPC Tools, HPC Applications

Related Solutions

HPC