Installation

In order to install the software you have first to satisfy the following software requirements. In particular you need:

  • make
  • fortran 77 compiler
  • C compiler
  • python (2.5 or higher): pay attention to install also python-dev, which includes the needed header like Python.h and arrayobject.h
  • numpy (available here)

Additional packages that could be useful, but not compulsory:

  • pylab: included in the matplotlib package, which can be found here, or which can be installed for example by means of apt-get utilities for linux users.
  • GOTOBLAS2: optimized BLAS Libraries, which can be downloaded here.
  • mpich2: for code parallelization, available here. NOTE: on linux machines, when configuring, type the following: ./configure –enable-sharedlibs=gcc . In this way, you can compile with the -fPIC flag without any error, when installing NanoTCAD ViDES module. On OS X instead, type: ./configure –prefix=/usr/local –enable-mpi-f77 –enable-mpi-f90 –enable-sharedlibs=gcc . Do not forget at the end of the installation to export the path: export PATH=$PATH:/usr/local
  • mpi4py: a python/MPI interface, which can be downloaded here. For the installation, please go to the following pageTips for installation of mpi4py on a HPC: If the HPC you use has the PBS queue management system, do the following:
    • look at the available modules (module avail)
    • load the python module. For example, module load python/2.6.5
    • load the mpich2 module. For example, module load mpich2-intel64
    • In your home, untar the tarball of mpi4py.
    • Go to the untarred directory
    • Type: ./configure
    • python setup.py build
    • python setup.py install –user
    • Check if the installation is correct, running a demo program: python ./demo/helloworld.py
    • The mpi4py you have installed at this point, runs only with mpich2-intel64 version, so that, everytime you want to use the MPI capabilities, you have first to load such a module. If you want to use another module, you have to go through the installation procedure once again.

 




Once you have complied with software requirements, you can proceed with the python module NanoTCAD ViDES installation.

First download the code, available here

Untar the tarball file:

tar -xvzf pyViDES.tgz

Now you can follow two installation procedure, depending if you have root privilege on the
machine or not.

The makefile in the src directory are meant to run on a machine in which g77, gcc compilers are installed. If you want to use other compilers, please change the Makefile and the Makefile.form in the ./src directory.
If you have root provilege, go to the pyViDES directory and, as root, simply type
./install.sh

In this way, the python module NanoTCAD_ViDES will be installed in the default library python directory
(specified by prefix), and you can call the python
module in whichever directory you are.
If you do not have root privilege or if for some reasons the above mentioned install.sh script does not work, go to the pyViDES/src directory and type
python ./configure.py

make
alternatively, if GOTOBLAS2 Libraries are installed, one may compile with the command

make GOTOBLAS=1

Whenever launching the module in a general directory, pay attention
to copy the following file, which you find in the src directory:

NanoTCAD_ViDESmod.so
NanoTCAD_ViDES.py
section.py

In order to run parallelized simulations please refer to the “Run MPI” section.

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