Gaussian 16 Rev C.01 Linux64 / 09W 9.5 Rev D.01 Windows

Admin March 04, 2022 CAD,

Description

Gaussian is software for computational chemists. The first version of this program was released in 1970, but over time it became one of the most popular programs in the field of computational chemistry. The program was created by Professor John Pople and his research team at the University of Mellon. Professor Pople and his students used the capabilities of this software to do good research in quantum chemistry and other disciplines that demonstrate the practical application of this product. Gaussian has many capabilities in modeling electronic structures, the Windows version of this software has the extension w (such as 09w) and also for Mac PCs based on power pc software will have the extension m. A 32-bit version of the single CPU is also available to researchers as a light version with an IM extension, such as 09IM. The Windows version of Gaussian can run as a single-processor or multi-processor.

Features and specifications of Gaussian software:

Has a large number of important and basic algorithms
Modeling a variety of topics related to computational chemistry
Optimization of geometry and modeling of chemical reactions
Vibration analysis
Applying different molecular properties
ONIOM calculations
Analysis of arousal states
Automatic optimization of vibrations or point energies
Easy replacement of element isotopes and change of their temperature and pressure characteristics
Simple definition of fragments and their molecular properties
Automatic optimization of transition structures
Select and sort favorite normal modes during frequency calculations as well as save and read these modes
Recover data from multiple checkpoint files for calculations
And …

required system

32-bit Version

Licenses for the 32-bit version of Gaussian 09W are available for both single computers and for an unlimited number of computers at a licensed site.

Recommended Minimum System Requirements

As is the case with all 32-bit Fortran applications, the 32-bit version of Gaussian 09W is limited to accessing at most 2 GB of RAM and 16 GB of disk regardless of how much memory is available on the system. The 32-bit multiprocessor version of G09W is limited to 4 processors (or cores). The 32-bit version of G09W will run on 64-bit computer systems, albeit with the disk and memory limitations inherent to 32-bit applications.

Processor: Intel Pentium 4, AMD Athlon, and later.
Operating System:

requirements for G09W alone: Microsoft Windows XP, Windows 7, Windows 8, 8.1, Windows 10, Windows Server 2012 R2.
requirements for G09W Cluster/Network Parallel versions: Microsoft Windows XP.

Memory (RAM): 1 GB
Disk: 1.7 GB (G09W storage); and 500 MB or more (scratch space)
Other: CD-ROM drive; Mouse

64-bit Version

Single computer licenses as well as site-wide licenses are available for the 64-bit version of Gaussian 09W.

Recommended Minimum System Requirements

The 64-bit version of G09W is not limited in the number of processors (or cores) that can be accessed for shared memory parallel calculations. It does not have the 32-bit addressing limitations that the 32-bit G09W version has, so for all practical purposes, the 64-bit version of G09W can access an unlimited amount of memory and disk space.

Processor: AMD64 or Intel64 (EM64T) system running supported 64-bit Windows version.
Operating System:

64-bit Microsoft Windows 7 Home, Premium, Professional, Ultimate, Windows 8, 8.1, Windows 10, Windows Server 2012 R2.

Memory (RAM): >2 GB
Disk: 1.5 GB (G09W storage); and 500 MB or more (scratch space)
Other: CD-ROM drive; Mouse

Pictures

Installation guide

Windows and GaussView versions are registered serially. The Linux version is also complete.

How to install version 16 of Linux:

Installation :
mkdir -p $ HOME / opt / gaussian / scr
export g16root = $ HOME / opt / gaussian
tar xvjf G16-A03-AVX2.tbz -C $ g16root
export GAUSS_EXEDIR = $ g16root / g16
export GAUSS_SCRDIR = $ g16root / scr
chmod -R $ 700 GAUSS_EXEDIR
cd $ GAUSS_EXEDIR
./bsd/install
Run the calculation :
$ GAUSS_EXEDIR / g16 example.inp