Gaussian 16 is the newest version of the Gaussian quantum chemistry package, replacing Gaussian 09.
- Current revision: C.01 (previous versions of B.01 and A.03 still exist)
- Machines: All clusters
- Location of latest revision: /uufs/chpc.utah.edu/sys/installdir/gaussian16/C01
Note that are four different executable directories in this location -- corresponding to the presence of the SSE4, AVX, or AVX2 instruction sets. They are:
Gaussian 16 Installation Instructions
- legacy for when none of the instruction sets listed below are available (no longer needed applicable any of the CHPC resources)
- SSE4 -- version for lonepeak nodes; 12 core nodes on ash
- AVX -- version for all tangent nodes; 16 and 20 core nodes on kingspeak and ash
- AVX2 -- version for 24 and 28 core nodes on kingspeak and ash; notchpeak nodes
- Gaussview/Gaussian Guide and Exercise Manual Introduction In this manual some of the principal features of the Gaussview and Gaussian programs are highlighted to enable the student to start working productively with both programs. The examples/descriptions are inevitably brief and do not aim to be a comprehensive guide.
- First install G16 from source 2. Mount the Linda CD using the same location as above. Now install Linda: $ /bin/csh% setenv mntpnt '/mnt/dvd' # Set to wherever CD is mounted.% setenv g16root 'dir' # dir=install location for G16.% cd $g16root/g16% bzip2 -d -c $mntpnt/tar/.tbz tar xvf -% bsd/fixlinda # fixes paths and soft links.
As the newer processors have the older instruction set, these are backwards compatible, i.e., the SSE4 and legacy will run all all nodes on the CHPC clusters, but the performance is impacted and the runs will be slower. Therefore it is best if you use the optimum version. This is addressed in the gaussian16 slurm batch script provided (see below).
Please direct questions regarding Gaussian to the Gaussian developers. The home page for Gaussian is http://www.gaussian.com/. A user's guide and a programmer's reference manual are available from Gaussian and the user's guide is also available online at the Gaussian web site.
Gaussian 16 Installation Instructions Free
Install GAUSS 21 in Silent Mode (Silent Install) To install GAUSS in Silent Mode, you should be able to use the /quiet or /qn options with msiexec to perform a silent install. MSI packages export public properties, which you can set with the PROPERTY=value syntax on the end of the msiexec parameters. Gaussian / ˈ ɡ aʊ s i ə n / is a general purpose computational chemistry software package initially released in 1970 by John Pople and his research group at Carnegie Mellon University as Gaussian 70. It has been continuously updated since then. The name originates from Pople's use of Gaussian orbitals to speed up molecular electronic structure calculations as opposed to using Slater-type.
Gaussian 16 Installation Instructions Diagram
IMPORTANT NOTE: The licensing agreement with Gaussian allows for the use of this program ONLY for academic research purposes and only for research done in association with the University of Utah. NO commercial development or application in software being developed for commercial release is permitted. NO use of this program to compare the performance of Gaussian16 with their competitors' products (i.e. Q-Chem, Schrodinger, etc) is allowed. The source code cannot be used or accessed by any individual involved in the development of computational algorithms that may compete with those of Gaussian Inc. If you have any questions concerning this, please contact Anita Orendt at anita.orendt@utah.edu.
Gaussian 16 Installation Instructions Pdf
In addition, in order to use gaussian16 you must be in the gaussian users group.