One must have good tools in order to do a better job.

Fundamental Linux operation is prerequisite in parallel computation.
Computer resources involve home-built cluster (a) and large scale supercomputer (b,c).

Pc cluster

Dual Core AMD Opteron 265/270/2214, Intel Xeon 5130 2.00GHz, Intel Q6600, up to 32 nodes with 128 CPU cores.
More than 32x300GB SATA Harddisk are available
32x8GB Memory
Gigabyte interconnect
Parallel environment:Mpich2-1.0.6/OpenMPI-1.2.6
Intel ifort 9.1 noncommercial version/MKL8.1

Software:

vasp
pwscf
siesta
matdcal/transiesta-c
gaussian

In addition, we have access to the large supercomputer resources, Dawning4000A, Shenteng6800.

 

March 9, 2006

I extended the modified tags on the tags page. Enjoy the vast amount of customization for this template!

MxR3D#0e