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The installation instructions are in a readme file and it is recommended that you have experience with Linux/UNIX to be able to install it. Penn Chemistry does not own a license for Gaussian for Windows. How can I have GaussView on my Mac look at Gaussian results from the GPC? That depends if the software is written to use only the CPU (then a fast CPU is essential) or to use only the computing power of the GPU (then.

G09 with Linda Using Gaussian 09 with Linda This section describes the process of installing the Linda software you have purchased through Gaussian, Inc. And building a distributed-memory parallel version of Gaussian.

It assumes that you have already built and tested the regular version of the program. It also assumes that you have read the normal installation instructions and also that you have access to the Gaussian 09 User’s Reference. Linda Parallel Methods HF, CIS=Direct, and DFT calculations on molecules are Linda parallel, including energies, optimizations and frequencies. TDDFT energies and gradients and MP2 energies and gradients are also Linda parallel.

Portions of MP2 frequency and CCSD calculations are Linda parallel, but others are only SMP-parallel, so they see some speedup from using a few nodes but no further improvement from larger numbers of nodes. It is always best to use SMP-parallelism within nodes and Linda only between nodes. For example on a cluster of 4 nodes, each with a dual quad-core EM64T, one should use%NProcShared=8%LindaWorkers=node1,node2,node3,node4 rather than using more than one Linda worker per node. Installing the Linda Software and Compiling G09/Linda If you have purchased Gaussian binaries, Linda is distributed on the same CD as the Gaussian binaries and no additional installation is necessary. Follow the directions in the file README file on the distribution CD. If you have purchased Gaussian source code, then Linda is distributed on a separate CD. Follow the directions in the file README.source file on the Gaussian source distribution CD to install Linda and compile Gaussian to use Linda.

In either case, you must run the command bsd/install as detailed in the README files and installation instruction sheets. Running Gaussian with Linda The Linda parallel programming model involves a master process, which runs on the current processor, and a number of worker processes which can run on other nodes of the network. So a Gaussian 09/Linda run must specify the number of processors to use, the list of processors where the jobs should be run, and occasionally other job parameters. An environment variable is generally the easiest way to specify this information (as we will see). Each of these nodes needs to have some access to the Gaussian 09 directory tree. The recommended configuration is to have G09 on each system that will be used for the parallel job.