How To Install dl_poly-openmpi on Fedora 36
Introduction
In this tutorial we learn how to install dl_poly-openmpi
on Fedora 36.
What is dl_poly-openmpi
DL_POLY Classic is a general purpose molecular dynamics simulation package developed at Daresbury Laboratory by W. Smith, T.R. Forester and I.T. Todorov. It is based on the package DL_POLY_2, which was originally developed by the Computational Chemistry Group, (CCG) at Daresbury Laboratory under the auspices of the Engineering and Physical Sciences Research Council (EPSRC) for (CCP5), the EPSRC’s Collaborative Computational Project for the Computer Simulation of Condensed Phases. DL_POLY Classic achieves parallelisation using the Replicated Data strategy which is suitable for homogeneous, distributed-memory, parallel computers. The code is useful for simulations of up to 30,000 atoms with good parallel performance on up to 100 processors, though in some circumstances it can exceed or fail to reach these limits. Reference Journal of Materials Chemistry, (2006) 16, 1911-1918 This is a parallel version using openmpi.
We can use yum
or dnf
to install dl_poly-openmpi
on Fedora 36. In this tutorial we discuss both methods but you only need to choose one of method to install dl_poly-openmpi.
Install dl_poly-openmpi on Fedora 36 Using dnf
Update yum database with dnf
using the following command.
sudo dnf makecache --refresh
After updating yum database, We can install dl_poly-openmpi
using dnf
by running the following command:
sudo dnf -y install dl_poly-openmpi
Install dl_poly-openmpi on Fedora 36 Using yum
Update yum database with yum
using the following command.
sudo yum makecache --refresh
After updating yum database, We can install dl_poly-openmpi
using yum
by running the following command:
sudo yum -y install dl_poly-openmpi
How To Uninstall dl_poly-openmpi on Fedora 36
To uninstall only the dl_poly-openmpi
package we can use the following command:
sudo dnf remove dl_poly-openmpi
dl_poly-openmpi Package Contents on Fedora 36
/usr/lib/.build-id
/usr/lib/.build-id/27
/usr/lib/.build-id/27/5dabd778294e2bfb2de64b3165a5798cfb78af
/usr/lib64/openmpi/bin/dl_poly_openmpi
References
Summary
In this tutorial we learn how to install dl_poly-openmpi
on Fedora 36 using yum and [dnf]((/fedora/36/dnf/).