Pmodules for OPAL

Table of Contents

Check whether the software requirements are fulfilled on your system

Check whether the software requirements are fulfilled on your system

Requirements

The easiest and recommended solution is to use the Pmodules environment available at PSI. How to install and use the Pmodules is explained in the next two sections. The Pmodules are running on

Redhat Enterprise Linux 6 and 7 and Clones like Scientific Linux and Centor
Ubuntu 14 LTS and 16 LTS
OpenSUSE should work but is not tested

Check whether Pmodules are available

To check whether Pmodules are available on your system, run module --version. The output should look like:

$ module --version

Pmodules 0.99.10 using Tcl Environment Modules 3.2.10
Copyright GNU GPL v2

If not already done, install Pmodules

If Pmodules are not installed on your system, you can either use modules available on AFS or you can install the required modules on your local disk.

Note: For the time being Pmodules supports only bash but not tcsh.

Use the modules on AFS

You (or your system administrator if you don’t have root access) have to set a symbolic link in the directory /opt to the Pmodules installation on AFS:

sudo ln -s /afs/psi.ch/sys/psi.x86_64_slp6 /opt/psi

Add the following line to your .bashrc or .bash_profile:

source /opt/psi/config/profile.bash

Install the required modules on your local disk

First you have to choose an installation directory. The modules can be installed anywhere. Around x GB are required for the installation. The following $DSTDIR represents the installation directory.

In the second step the Pmodules software must be installed with the command:

/afs/psi.ch/sys/psi.x86_64_slp6/Tools/Pmodules/default/bin/modmanage  init "${DSTDIR}"

Next we have to setup the symbolic link:
```
sudo ln -s "${DSTDIR}" /opt/psi
```
Source the configuration file
```
source /opt/psi/config/profile.bash
```
Remember to add the same line to your .bashrc or .bash_profile

Now you can install the required modules:

modmanage install cmake/3.6.3
modmanage install boost/1.62.0 gsl/2.2.1 gtest/1.7.0 OpenBLAS/0.2.19 root/6.08.02 --with=gcc/5.4.0
modmanage install parmetis/4.0.3 --with=gcc/5.4.0 --with=openmpi/1.10.4
modmanage install H5hut/2.0.0rc3 trilinos/12.10.1-1 --with=gcc/5.4.0 --with=openmpi/1.10.4 --with=hdf5/1.8.18

Optional (only for OPAL versions 2.2 and lower): if you want to compile with DKS (CUDA), you have to install the following modules in addition:
```
modmanage install cuda/8.0.44
modmanage install dks/1.1.2 --with=gcc/5.4.0 --with=openmpi/1.10.4
```