ADMP

描述输入选项可用性相关关键词例子 Description...

Using GPUs

Using GPUs Gaussian 16 can use NVIDIA K40, K80, P100 (Rev. B.01), V100 (Rev. C.01) and A100 (Rev. C.02) GPUs under Linux. Earlier GPUs do not have the computational capabilities or memory size to run the algorithms in Gaussian 16. Allocating Memory for Jobs Allocating...

Running Gaussian

PreliminariesRunning under UNIXScratch FilesMemory UseParallel JobsUsing GPUsSystem Defaults & Runtime Overrides [wonderplugin_tab_content] Preliminaries System Requirements The Gaussian directories will require about 2-3 GB of disk space for the executables,...

g16 Command Line Options

OptionsEquivalencies [wonderplugin_tab_content] Command Line Options The g16 command accepts the following options on all platforms:...

Gaussian Interface Code Open-Source Public License, v. 1.0

Based on the Mozilla Public License version 2.0 1. Definitions 1.1. “CONTRIBUTOR” means each individual or legal entity that creates, contributes to the creation of, or owns Covered Software. 1.2. “CONTRIBUTION” means Covered Software of a...

Lines in a ModRedundant input section use the following syntax: [Type] N1 [N2 [N3 [N4]]] [A | F] [Type] N1 [N2 [N3 [N4]]] B [Type] N1 [N2 [N3 [N4]]] K | R [Type] N1 [N2 [N3 [N4]]] D [Type] N1 [N2 [N3 [N4]]] H diag-elem [Type] N1 [N2 [N3 [N4]]] S nsteps stepsize N1,...