News

Mathematica version 12.1

Mathematica Version 12.1 is now available on the Hoffman2 Cluster.

Mathematica is a modern technical computing system spanning most areas of technical computing.

To learn how to run Mathematica on Hoffman2 please refer to:

https://www.hoffman2.idre.ucla.edu/Using-H2/Software/Software.html#mathematica

If you have any questions or problems, please submit a new ticket at our support site https://support.idre.ucla.edu/


MATLAB version 9.8 (R2020a) Total-head-count-license

MATLAB Version 9.8 (R2020a) is now available on the Hoffman2 Cluster.

This installation of MATLAB under the Total Academic Headcount License (https://www.mathworks.com/academia/tah-portal/ucla-31454052.html) supports access to the full suite of packages and virtually unlimited licenses.

MATLAB is a proprietary multi-paradigm programming language and numerical computing environment developed by MathWorks.

To run MATLAB on Hoffman2 please refer to:

https://www.hoffman2.idre.ucla.edu/Using-H2/Software/Software.html#matlab

If you have any questions or problems, please submit a new ticket at our support site https://support.idre.ucla.edu/


Q-Chem version 5.3.0

Q-Chem Version 5.3.0 is now available on the Hoffman2 Cluster.

Q-Chem is a comprehensive ab initio quantum chemistry software for accurate predictions of molecular structures, reactivities, and vibrational, electronic and NMR spectra. The new release of Q-Chem 5 represents the state-of-the-art of methodology from the highest performance DFT/HF calculations to high level post-HF correlation methods (https://www.q-chem.com/).

To run Q-Chem on Hoffman2:

To run the shared memory version (from a bash script):

. /u/local/Modules/default/init/modules.sh module load qchem/5.3.0_sm qchem -nt $NSLOTS sample.in sample.out_$JOB_ID

To run the shared memory version (from a bash script):

. /u/local/Modules/default/init/modules.sh module load qchem/5.3.0_sm qchem -mpi -nt 1 -np $NSLOTS sample.in sample.out_$JOB_ID

where you will substitute sample.in and sample.out with the actual input and output file names.

If you have any questions or problems, please submit a new ticket at our support site https://support.idre.ucla.edu/