Installing VMD-1.9.3 binaries on Linux

Register and download the VMD from VMD Site

Step 1: Unpack the VMD tar-gz

% tar -zxvf vmd-1.9.3.bin.LINUXAMD64-CUDA8-OptiX4-OSPRay111p1.opengl.tar.gz

Step 2: Edit the configure.sh

% cd vmd-1.9.3
% ./configure 
./configure
using configure.options: LINUXAMD64 OPENGL OPENGLPBUFFER FLTK TK ACTC CUDA IMD LIBSBALL XINERAMA XINPUT LIBOPTIX LIBOSPRAY LIBTACHYON VRPN NETCDF COLVARS TCL PYTHON PTHREADS NUMPY SILENT ICC
% vim configure 

Between Line 15-19, you may want to edit the path and

# Directory where VMD startup script is installed, should be in users' paths.
$install_bin_dir="/usr/local/vmd-1.9.3/bin";

# Directory where VMD files and executables are installed
$install_library_dir="/usr/local/vmd-1.9.3/lib/$install_name";

Configure and Compile

% ./configure LINUXAMD64
% cd src
% make install

If you are encountering issues like make: *** No rule to make target y.tab.h', needed byvmd_LINUXAMD64′. Stop, try and see whether you have permission issues on the

Compiling GNU Parallel on CentOS-7

GNU parallel is a shell tool for executing jobs in parallel using one or more computers. A job can be a single command or a small script that has to be run for each of the lines in the input. The typical input is a list of files, a list of hosts, a list of users, a list of URLs, or a list of tables. A job can also be a command that reads from a pipe. GNU parallel can then split the input and pipe it into commands in parallel.

To Download, the got to the website https://mirror.freedif.org/GNU/parallel/

% tar -xvf parallel-latest.tar.bz2 
% ./configure --prefix=/usr/local/gnu/parallel 
% make 
% make install

There are some Youtube Resources on GNU Parallel which could be useful if you wish to learn how to use GNU Parallel

References:

  1. GNU Parallel