'Dirac' has several queue. No job should be run in master node and any job running in master node for a considerable time will be killed automatically. Job should be submitted through batch.sh.
Queues available : serial.q, 2core.q, 4core.q, 8core.q, 16core.q, 32core.q, and 48core.qThe following SOFTWARES are installed for use. Please follow the instruction to run your programme.
The .zip file contains : batch file to run the job, an example, output file of the example, instruction how to run.
Read the readme.txt file before use of the software.
i) Mathematica (download)
ii) Matlab (download) (2010 version)
iii) Matlab2018 (download) (2018 version: site license upto March 2021)
iv) Gaussian (download)
v) Quantum Espresso (cpu version) (download)
vi) ELK (download)
vii) OpenMX (download)
viii) VASP (download)
ix) Siesta (download)
x) GAMESS (download)
xi) Amber_CPU (download)
xii) Amber_GPU (download)
xiii) Gromacs_CPU (download)
xiv) Gromacs_GPU (download)
xv) NAMD_CPU (download)
xvi) NAMD_GPU (download)