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@@ -9,7 +9,8 @@ Usage of software on HPC systems is managed by a **modules system**.
and utilities. With the help of modules, users can smoothly switch between different versions of
installed software packages and libraries.
For all applications, tools, libraries etc. the correct environment can be easily set by calling "module load" or "module unload".
For all applications, tools, libraries etc. the correct environment can be easily set by
calling "module load" or "module unload".
## Module Commands
@@ -40,18 +41,25 @@ marie@compute$ module load modenv/ml
```
### modenv/scs5 (default)
* SCS5 software
* usually optimized for Intel processors (Partitions: haswell, broadwell, gpu2, julia)
### modenv/ml
* HPC-DA software (for use on the "ml" partition)
* necessary to run most software on the "ml" partition (The instruction set [Power ISA](https://en.wikipedia.org/wiki/Power_ISA#Power_ISA_v.3.0) is different from the usual x86 instruction set. Thus the 'machine code' of other modenvs breaks).
* necessary to run most software on the "ml" partition
(The instruction set [Power ISA](https://en.wikipedia.org/wiki/Power_ISA#Power_ISA_v.3.0)
is different from the usual x86 instruction set.
Thus the 'machine code' of other modenvs breaks).
### modenv/hiera
* uses a hierarchical module load scheme
* optimized software for AMD processors (Partitions: romeo, alpha)
### modenv/classic
* deprecated, old software. Is not being curated.
* may break due to library inconsistencies with the operating system.
* please don't use software from that modenv
@@ -77,7 +85,7 @@ and in some cases cannot fall-back to a more generic build either. That's why we
### Example Invocation of ml_arch_avail
```
marie@compute$ ml_arch_avail CP2K
marie@compute$ ml_ar:qLch_avail CP2K
Example output:
@@ -100,12 +108,13 @@ single user as well as all users of project group. The workflow and settings for
files is described in the following. The [settings for project private
modules](#project-private-modules) differ only in details.
In order to use your own module files please use the command
In order to use your own module files please use the command
`module use <path_to_module_files>`. It will add the path to the list of module directories
that are searched by lmod (i.e. the `module` command). You may use a directory `privatemodules`
that are searched by lmod (i.e. the `module` command). You may use a directory `privatemodules`
within your home or project directory to setup your own module files.
Please see the [Environment Modules open source project's webpage](http://modules.sourceforge.net/) for futher information on writing module files.
Please see the [Environment Modules open source project's webpage](http://modules.sourceforge.net/)
for futher information on writing module files.
### 1. Create Directories
@@ -114,6 +123,7 @@ marie@compute$ cd $HOME
marie@compute$ mkdir --verbose --parents privatemodules/testsoftware
marie@compute$ cd privatemodules/testsoftware
```
(create a directory in your home directory)
### 2. Notify lmod
@@ -121,12 +131,15 @@ marie@compute$ cd privatemodules/testsoftware
```
marie@compute$ module use $HOME/privatemodules
```
(add the directory in the list of module directories)
### 3. Create Modulefile
Create a file with the name `1.0` with a test software in the `testsoftware` directory you created earlier (use e.g.
echo, emacs, etc)
Create a file with the name `1.0` with a
test software in the `testsoftware` directory you created earlier
(use e.g. echo, emacs, etc)
```
#%Module######################################################################
##
@@ -187,7 +200,7 @@ the `module load` command.
An automated backup system provides security for the HOME-directories on the cluster on a daily
basis. This is the reason why we urge users to store (large) temporary data (like checkpoint files)
on the /scratch -Filesystem or at local scratch disks.
on the /scratch filesystem or at local scratch disks.
**Please note**: We have set `ulimit -c 0` as a default to prevent users from filling the disk with
the dump of a crashed program. bash -users can use `ulimit -Sc unlimited` to enable the debugging
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