Replaces the version in the originally loaded module.Īn example SLURM script, which queries the cluster and if needed the core count toĬhoose which module to load, is provided: /uufs//sys/installdir/gaussian16/etc/rng16 If you have the module for one version loaded and then load the moduleįor a different version, you will see a message that the version of the new module This family contains all version of gaussian09Īnd gaussian16. Gaussian modules loaded at the same time. Now a "gaussian" family defined in the module that makes it impossible to have two One additional change made with the installation of the new B01 version - there is Module load gaussian16/AVX2.C01 for the AVX2 version
Module load gaussian16/AVX.C01 for the AVXversion Module load gaussian16/SSE4.C01 for the SSE4 version You can, however, choose a different version by explicitly specifying the version, Is good for when you are doing testing, or running Gaussview. Note that theSSE4is set as the default as it will run on all CHPC resources. To set the environment to use G16 or GV6: If you have any questions concerning this, please contact Anita Orendt at addition, in order to use gaussian16 you must be in the gaussian users group. The development of computational algorithms that may compete with those of Gaussian
GAUSSIAN SOFTWARE WINDOWS CODE
The source code cannot be used or accessed by any individual involved in Of Gaussian16 with their competitors' products (i.e. NO use of this program to compare the performance NO commercial development or application in software being developed forĬommercial release is permitted. IMPORTANT NOTE: The licensing agreement with Gaussian allows for the use of this program ONLY forĪcademic research purposes and only for research done in association with the University The user's guide is also available online at the Gaussian web site.
GAUSSIAN SOFTWARE WINDOWS MANUAL
A user's guide and a programmer's reference manual are available from Gaussian and Please direct questions regarding Gaussian to the Gaussian developers. In the gaussian16 slurm batch script provided (see below). Therefore it is best if you use the optimum version.
AVX - version for all tangent nodes 16 and 20 core nodes on kingspeak and ash.SSE4 - version for lonepeak nodes 12 core nodes on ash.Needed applicable any of the CHPC resources) legacy for when none of the instruction sets listed below are available (no longer.To the presence of the SSE4, AVX, or AVX2 instruction sets. Note that are four different executable directories in this location - corresponding Location of latest revision: /uufs//sys/installdir/gaussian16/C01.Current revision: C.01 (previous versions of B.01 and A.03 still exist).Gaussian 16 is the newest version of the Gaussian quantum chemistry package, replacing University Application Heath Summary - NOC.Narwhal User Guide (Protected Environment Statistics).
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