23 February 2007 Update: Gromacs
We installed the newest release (3.3.1) of Gromacs GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. Path: /opt/pc2/gromacs-331
06 February 2007 NEW: Parallel file system
The file system is GPFS (General Parallel File System) developped by IBM.
24 January 2007 New: VASP
VAMP/VASP is a package for performing ab-initio quantum-mechanical molecular dynamics. NOTE: You have to apply a licence for usage. Path: /opt/pc2/vasp
24 January 2007 New: Siesta
Siesta performs electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids. NOTE: You have to apply a licence for usage. Path: /opt/pc2/siesta
24 January 2007 Update: FFTW Library
We installed the newest release of the FFTW library FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data (as well as of even/odd data, i.e. the discrete cosine/sine transforms or...
18 January 2007 ARMINIUS offline between 00:30 and 16:30
Due to a breakdown of the power supply in the computing room last night, all systems were switched off. This also led to a failure in the air conditioning of the computing room. The ARMINIUS cluster was offline between 00:30 and 16:30
17 January 2007 New: CCS island FPGA
The island is named FPGA. It consists of 4 nodes of the ARMINIUS cluster equipped with FPGA cards. All users of the ARMINIUS cluster may also use the FPGA cluster. Reservations are not allowed on the FPGA island and the maximum duration is limited to 4h. Frontend: arminius.upb.de. Access: ...