HPC/Module naming scheme 2016: Difference between revisions
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! rowspan=2 colspan=2 | You have files | ! rowspan=2 colspan=2 | You have files:<br/>.bashrc and … | ||
! rowspan=2 | Remark | ! rowspan=2 | Remark | ||
! colspan=2 | CentOS-5 uses | ! colspan=2 | CentOS-5 uses | ||
! colspan=2 | CentOS-6 uses | ! colspan=2 | CentOS-6 uses | ||
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! names !! files !! names !! files | ! module names !! files !! module names !! files | ||
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| – || – || current situation || style="background:#fdd;" | old || style="background:#fdd;" | .bashrc only || style="background:#dfd;" rowspan=4 | new || style="background:#dfd;" | .bashrc only | | – || – || current situation || style="background:#fdd;" | old || style="background:#fdd;" | .bashrc only || style="background:#dfd;" rowspan=4 | new || style="background:#dfd;" | .bashrc only | ||
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| – || .modules-carbon-2 || switch over, ''recommended'' || style="background:#dfd;" | new || style="background:#dfd;" | .modules-carbon-'''2''' and .bashrc || style="background:#dfd;" | .modules-carbon-2 and .bashrc | | – || .modules-carbon-2 || switch over, ''recommended'' || style="background:#dfd;" | new || style="background:#dfd;" | .modules-carbon-'''2''' and .bashrc || style="background:#dfd;" | .modules-carbon-2 and .bashrc | ||
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| .modules-carbon-1 || .modules-carbon-2 || for advanced | | .modules-carbon-1 || .modules-carbon-2 || for advanced users || style="background:#fdd;" | old || style="background:#fdd;" | .modules-carbon-1 and .bashrc || style="background:#dfd;" | .modules-carbon-2 and .bashrc | ||
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Revision as of 22:34, August 11, 2015
Configuration files used
You have files: .bashrc and … |
Remark | CentOS-5 uses | CentOS-6 uses | |||
---|---|---|---|---|---|---|
module names | files | module names | files | |||
– | – | current situation | old | .bashrc only | new | .bashrc only |
.modules-carbon-1 | – | avoid | old | .modules-carbon-1 and .bashrc | .bashrc only (.*-1 file is ignored) | |
– | .modules-carbon-2 | switch over, recommended | new | .modules-carbon-2 and .bashrc | .modules-carbon-2 and .bashrc | |
.modules-carbon-1 | .modules-carbon-2 | for advanced users | old | .modules-carbon-1 and .bashrc | .modules-carbon-2 and .bashrc |
Configuration steps
CentOS-independent module selection (recommended)
To switch over to new hierarchical module names on both CentOS releases it's easiest to continue making all your module choices in ~/.bashrc
, but you have to signal on the older platform to use the new module style:
- Create a customization file for new names, but leave it empty (you'll configure your choices in the next step). Use the command:
touch ~/.modules-carbon-2
- Edit your
.bashrc
file and update your module selections as follows:- Remove version numbers from module names of the old-style
name/version
, leaving onlyname
. This is the recommended approach, as you will automatically benefit from future upgrades. - To insist on a specific version using new-style names, append
…/mpiname/compilername/version
as needed. To see available flavors and versions, separately run the commandmodule avail name
.
- Remove version numbers from module names of the old-style
CentOS-dependent module selection
If you encounter difficulties with making your module selection work in both CentOS-5 and CentOS-6, use separate configurations:
- Move all your previous module commands from
.bashrc
to~/.modules-carbon-1
, where they will apply only on CentOS-5. - Place all your module selections for CentOS-6 in
~/.modules-carbon-2
. Copy and edit from the .*-1 file.
New and changed features
Module dependencies
New-style modules are less implicit (less automatic) in loading modules that they depend on. This means prior to loading a more advanced module you must load all its prerequisites, chosen from the same MPI and (usually) compiler flavor as the advanced module. A missing prerequisite will give errors of the form
… ERROR:151: Module 'troubled_name' depends on one of the module(s) 'other_name1 other_name2' …
To resolve this error, edit your ~/.bashrc
or .modules-carbon-2
file and add module load …
commands for the needed module(s) other_names before loading "troubled_name".
Name completion
When working interactively in a terminal, you can use a "completion" feature of the Bash shell to complete a partially typed module name and show all names available for the name typed so far. For example:
At a shell prompt (shown as "$"), type:
$ module load fft
Press the <TAB>
key and the name will be expanded to fftw3/
and you'll see two possible completing names, with the cursor waiting at the end of the longest common substring:
$ module load fftw3/_ fftw3/INTEL/3.3.2-1 fftw3/OPENMPI-1.4/INTEL/3.3.2-4
Type the letter O
, hit the <TAB>
key again, and the now single complete name will be completed, with the cursor waiting after an additional space character:
$ module load fftw3/O<TAB> $ module module load fftw3/OPENMPI-1.4/INTEL/3.3.2-4 _
Ignoring system defaults
By default, on Carbon the Intel compilers and the OpenMPI flavor of MPI continue to be pre-loaded for you. In other words, without any module customization, you'd see from the module list
command:
module list
Currently Loaded Modulefiles: 1) intel/15/15.0.2 2) openmpi/1.4/INTEL/1.4.5-intel12-2
You can now safely use the command
module purge
and afterwards use module load …
to only load your preferred compiler and MPI flavors, and applications depending on them.