Openmpi
This guide leads to the setup openmpi in paramshakti supercomputing facility in user’s own account
Requirement
gcc, g++, and gfortran compiler
In paramshakti try this
module avail | grep gcc
This will output all the available gcc versions. Load the latest (preferably) version or any other depending on your requirement. I loaded gcc 10.2.0
module load compiler/gcc/10.2.0
Getting the Program
Goto the openmpi
website. Register yourself if you are new or login.
Download the required version for Linux x86 and copy it
to your account. Now create a apps/
directory inside your home
and move the tar file there and untar it. I am writing this tutorial
for openmpi v 4.1.1.
mkdir -p ~/apps
mv ~/apps
cd ~/apps
tar -xzvf openmpi-4.1.1.tar.gz
This will create a directory openmpi-4.1.1. It amy be different depending upon the version. Now create an installation directory. I created with the name openmpi411 and copy the path to this directory. For my case the path will be /home/<username>/apps/openmpi411
Now go to the openmpi-4.1.1 directory and follow the code below
cd openmpi-4.1.1
./configure --prefix=/home/<username>/apps/openmpi411 CC=gcc CXX=g++ F77=gfortran FC=gfortran
make -j10
make install
This will take some time. If it’s finished then the installation is successfully, otherwise check the error log for details. After finishing this go to openmpi411 directory. You wil find several directories, bin, lib, etc, include, share.
Next step is to create a modulefile for openmpi 4.1.1.
Module File setup
Packages in paramshakti are usually maintained by using the module
system. You can easily maintain multiple version
of same/different packages with this system.
First create a modulefiles
directory inside your \home
mkdir -p ~/modulefiles/openmpi
cd ~/modulefiles/openmpi
create a file with your preferred name e.g 411
(usually same with the openmpi version)
Here is a sample modulefile(411
)
#%Module1_0
## ORCA modulefile
##
proc ModulesHelp { } {
puts stderr "\tAdds OPENMPI to your environment"
}
module-whatis "Adds OPNMPI to your environment"
module try-add compiler/gcc/10.2.0
set openmpiversion 4.1.1
set MPI_HOME /home/17cy91r04/apps/openmpi411
prepend-path LD_LIBRARY_PATH /home/<username>/apps/openmpi411/lib
prepend-path PATH /home/<username>/apps/openmpi411/bin
Modify these variables according to your account
Now modulefile for openmpi is created and module path needs to be set in the environment ~/.bashrc
open ~/.bashrc
file with an editor and paste this
export MODULEPATH=$MODULEPATH:/home/<username>/modulefiles
save it and source
it
source ~/.bashrc
try this in command line
module load openmpi/411
if no error is coming out try
$ which mpirun
it should print out
$ ~/apps/openmpi411/bin/mpirun
Congratulation !! You have successfully installed ORCA in your account.
Tip
If anything goes wrong, you have find what is the problem and after fixing the issue you have to follow all the steps from configure step. Before configuring do make clean first, otherwise it will take the old configuration setup.
Still having problem ? Don’t worry, create an issue with proper error output here.
We are happy to help!!
- Date
14.05.2022
- Authors
saikat R