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update ml packagename -> ml PackageName
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stigrj committed May 30, 2017
1 parent f85b809 commit 8f93efa
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4 changes: 2 additions & 2 deletions applications/chemistry/ADF/ADF.rst
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Expand Up @@ -67,13 +67,13 @@ to see which versions of ADF are available. Use

.. code-block:: bash
$ module load adf
$ module load ADF
or

.. code-block:: bash
$ module load adf/<version> # i.e 2014.10 (default)
$ module load ADF/<version> # i.e 2014.10 (default)
to get access to ADF.

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4 changes: 2 additions & 2 deletions applications/chemistry/ADF/Band.rst
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Expand Up @@ -32,7 +32,7 @@ You load the application by typing:

.. code-block:: bash
$ module load adf
$ module load ADF
This command will give you the default version.

Expand All @@ -46,7 +46,7 @@ If you want to run other versions of ADF, change the <module load> parameter in

.. code-block:: bash
$ module load adf/2014.08
$ module load ADF/2014.08
First run of ADF/BAND on Stallo:
================================
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2 changes: 1 addition & 1 deletion applications/chemistry/ADF/adf.jobscriptex
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Expand Up @@ -31,7 +31,7 @@ cores=40 # Number of cores potentially used by mpi engine in submit procedure
# We load all the default program system settings with module load:

module load notur
module load adf/2014.10
module load ADF/2014.10

# Check other available versions with "module avail adf"

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2 changes: 1 addition & 1 deletion applications/chemistry/Gaussian/GaussView.rst
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Expand Up @@ -10,7 +10,7 @@ GaussView on Stallo

The GaussView version for Gaussian 09 is release 5.0.8 To load and run GaussView on Stallo, you first have to load the relevant gaussian module, and then call gaussview::

$ module load gaussian/09.d01
$ module load Gaussian/09.d01
$ gview

More information about GaussView:
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2 changes: 1 addition & 1 deletion applications/chemistry/Gaussian/Gaussian.rst
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Expand Up @@ -63,7 +63,7 @@ to see which versions of Gaussian are available. Use

.. code-block:: bash
$ module load gaussian/<version> # i.e 09.d01
$ module load Gaussian/<version> # i.e 09.d01
to get access to any given version of Gaussian.

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4 changes: 2 additions & 2 deletions applications/chemistry/Gaussian/advanced.rst
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Expand Up @@ -33,11 +33,11 @@ Gaussian 09 on Stallo

To run Gaussian 09 on Stallo, the module containing all relevant environment settings for Gaussian has to be loaded::

$ module load gaussian
$ module load Gaussian

Currently, both the minor revision b.01 and c.01 are available on Stallo, the default version being loaded is c.01. The reason for this is basically better scaling behavior. To load loading version b.01::

$ module load gaussian/09.b01
$ module load Gaussian/09.b01

If you download a run script (see below), this will be taken care of by the script (though you have to change to your preferred flavor of the Gaussian 09 code). Two run scripts are available (for running in serial and parallel, respectively). Download one of the scripts to your home/$USER/bin and use it as described.

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2 changes: 1 addition & 1 deletion applications/chemistry/Gaussian/job_g09.sh
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Expand Up @@ -31,7 +31,7 @@ extention=com # We use the same naming scheme as the software default
# We load all the default program system settings with module load:

module load notur
module load gaussian/09.d01
module load Gaussian/09.d01

# Check other available versions with "module avail gaussian"

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2 changes: 1 addition & 1 deletion applications/chemistry/Schrodinger/Schrodinger.rst
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Expand Up @@ -73,7 +73,7 @@ Use

.. code-block:: bash
$ module load schrodinger/<version> # i.e 2015.4
$ module load Schrodinger/<version> # i.e 2015.4
to get access to Schrodinger. The batch resource allocation system is integrated with the gui through a schrodinger.hosts file which is centrally administered.

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2 changes: 1 addition & 1 deletion applications/chemistry/VASP/VASP.rst
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Expand Up @@ -14,7 +14,7 @@ You load the application by typing:

.. code-block:: bash
$ module load vasp
$ module load VASP
This command will give you the default version, which is currently 5.3.2

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6 changes: 3 additions & 3 deletions development/debugging.rst
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Expand Up @@ -23,7 +23,7 @@ from this compilation will in the following examples be called
First, load the totalview module to get the correct environment
variables set::

$ module load totalview
$ module load TotalView

To start debugging run::

Expand Down Expand Up @@ -62,7 +62,7 @@ Running totalview on an interactive node::
$ mkdir -p /global/work/$USER/test_dir
$ cp $HOME/test_dir/a.out /global/work/$USER/test_dir
$ cd /global/work/$USER/test_dir
$ module load totalview
$ module load TotalView
$ totalview a.out

Replace [#procs] with the core-count for the job.
Expand Down Expand Up @@ -115,7 +115,7 @@ request. Typically the program will run 10-100 times slower under Valgrind.
Simply start Valgrind with
the path to the binary program to be tested::

$ module load valgrind
$ module load Valgrind
$ valgrind /path/to/prog

This runs Valgrind with the default "tool" which is called memcheck, which
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2 changes: 1 addition & 1 deletion help/faq.rst
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Expand Up @@ -54,7 +54,7 @@ virtual environments: http://docs.python-guide.org/en/latest/dev/virtualenvs/

Example (as an example we install the Biopython package)::

$ module load gcc/4.9.1
$ module load GCC/4.9.1
$ virtualenv venv
$ source venv/bin/activate
$ pip install biopython
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4 changes: 2 additions & 2 deletions software/modules.rst
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Expand Up @@ -50,12 +50,12 @@ How to load a module

In order to make, for instance, the NetCDF library available issue the command::

module load netcdf
module load netCDF

This will load the default NetCDF version. To load a specific version,
just include the version after a slash::

module load netcdf/3.6.2
module load netCDF/3.6.2



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4 changes: 2 additions & 2 deletions storage/storage.rst
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Expand Up @@ -222,8 +222,8 @@ format like `netCDF <http://www.unidata.ucar.edu/software/netcdf/>`_ or
Both formats are supported on stallo, but you have to load its modules
to use them::

$ module load netcdf
$ module load netCDF

Or::

$ module load hdf5
$ module load HDF5

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