1.Computational Resources

The first-principles calculational group has 4 linux clusters including HP-C3000, HP-C7000 and two small Sugon machines. Total number of CPU cores are 224. The double-precision theoretical peak of floating-point operations is about 2TFLOPS (2万亿次/秒). The access to the clusters is limited to on-campus, so that one can have a direct access from on-campus but needs to use VPN to get connected from off-campus.

Linux Clusters:

HP-C3000(2007)

Number of nodes: 8

CPU model name: Intel(R) Xeon(R) CPU E5420

CPU MHz: 2500.092 (2.5GHz)

Cache size: 6144 KB

Number of cores per node: 8

Memory : 8G

Interconnect: Infiniband

Job scheduler : OpenPBS

system: Redhat 4.0

HP-C7000(2012.2)

Number of nodes: 12

CPU model name: Intel(R) Xeon(R) CPU E5645

CPU MHz: 2457.6 (2.4GHz)

Cache size: 12288 KB

Number of cores per node: 12

Memory : 12G

Interconnect: Infiniband

Job scheduler : Torque & Maui PBS

System: Redhat 5.6

Sugon(2010)

The Group also has two sugon machines for classes and simple calculations.

Number of cores: 8

CPU model name: Intel(R) Xeon(R) CPU E5410

CPU MHz: 2385.9 (2.33GHz)

Cache size: 12288 KB

Memory : 8G

Job scheduler : Torque & Maui PBS

System: Redhat

2. Members

The members of the group mainly come from backgrounds including Materials Science and Physics.

Current members：

DingWang Yuan

Touwen Fan

ZiRan Liu

Yong Zhang

Linghong Liu