4faa37c412d083f6ba5e902459d89209a703868a
_Sidebar.md
| ... | ... | @@ -1,8 +1,8 @@ |
| 1 | 1 |  **[SBGrid Wiki](Home)** |
| 2 | 2 | |
| 3 | 3 | Support for Users |
| 4 | -* [Software Help](help) |
|
| 5 | -* [New Software Requests](help) |
|
| 4 | +* [Getting Started with SBGrid](getting_started) |
|
| 5 | +* [Software Help and Software Requests](help) |
|
| 6 | 6 | * [Supported Operating Systems](operatingsystems) |
| 7 | 7 | * [Overriding Default Software Versions](versions) |
| 8 | 8 | * [Install The Software On Your Laptop](laptopinstall) |
| ... | ... | @@ -26,4 +26,3 @@ Hardware Support Notes |
| 26 | 26 | |
| 27 | 27 | WSMR |
| 28 | 28 | * [Data Processing After WSMR](wsmr-worked) |
| 29 | - |
getting_started.md
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| 1 | +## Getting Started |
|
| 2 | + |
|
| 3 | +### Using the SBGrid software collection |
|
| 4 | +The SBGrid software collection can be found installed at **/programs**. |
|
| 5 | + |
|
| 6 | +Bash users should initialize the SBGrid environment using : |
|
| 7 | + |
|
| 8 | + source /programs/sbgrid.shrc |
|
| 9 | + |
|
| 10 | +Tcsh users should initialize the SBGrid environment with : |
|
| 11 | + |
|
| 12 | + source /programs/sbgrid.cshrc |
|
| 13 | + |
|
| 14 | +On initialization, you should see the SBGrid welcome message |
|
| 15 | + |
|
| 16 | + |
|
| 17 | + |
|
| 18 | +### Making the configuration automatic |
|
| 19 | + |
|
| 20 | +To setup your terminal to automatically load the SBGrid environment, add the following to your configuration file: |
|
| 21 | + |
|
| 22 | +For Bash, in **~/.bashrc**, add : |
|
| 23 | + |
|
| 24 | + if [ -f /programs/sbgrid.shrc ] ; then |
|
| 25 | + source /programs/sbgrid.cshrc |
|
| 26 | + fi |
|
| 27 | + |
|
| 28 | +For tcsh, in **~/.tcshrc** or **~/.cshrc**, add : |
|
| 29 | + |
|
| 30 | + if ( -e /programs/sbgrid.cshrc) then |
|
| 31 | + source /programs/sbgrid.cshrc |
|
| 32 | + endif |
|
| 33 | + |
|
| 34 | +### Setting an alias |
|
| 35 | + |
|
| 36 | +If you would prefer to load the SBGrid environment on demand and not have to type the command above, you can set an alias to a shorter command of your choosing. |
|
| 37 | + |
|
| 38 | +For example, for bash in ~/.bashrc : |
|
| 39 | + |
|
| 40 | + alias sbg='source /programs/sbgrid.shrc' |
|
| 41 | + |
|
| 42 | +For tcsh in ~/.tcshrc, this would be |
|
| 43 | + |
|
| 44 | + alias sbg 'source /programs/sbgrid.cshrc' |
|
| 45 | + |
|
| 46 | +Questions or problems? Please email **bugs@sbgrid.org** |
images/terminal1.png
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schrodinger_remote.md
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| 1 | +## Launching remote schrodinger jobs from maestro |
|
| 2 | + |
|
| 3 | +Schrodinger's Maestro GUI supports running jobs on remote systems to take advantage of systems with more computational resources. |
|
| 4 | + |
|
| 5 | +Setting this up requires 3 things: |
|
| 6 | +1. Setting up ssh keys to the remote system |
|
| 7 | +2. Configuring schrodinger.hosts for the system |
|
| 8 | +3. Launching the jobs on the appropriate system. |
|
| 9 | + |
|
| 10 | +Configuring schrodinger.hosts |
|
| 11 | +The schrodinger.hosts file should be located (or created) in your home directory; in $HOME/.schrodinger. |
|
| 12 | + |
|
| 13 | +An example schrodinger.hosts file: |
|
| 14 | + |
|
| 15 | + |
|
| 16 | + name: localhost |
|
| 17 | + tmpdir: /tmp/ |
|
| 18 | + |
|
| 19 | + # remote system |
|
| 20 | + name: sbgrid-zorin |
|
| 21 | + user: my_remote_username |
|
| 22 | + host: zorin.sbgrid.org |
|
| 23 | + tmpdir: /tmp |
|
| 24 | + processors: 32 |
|
| 25 | + |
|
| 26 | +## Launching jobs on the remote system |
|
| 27 | + |
|
| 28 | +To launch a job on a remote system, the name under "Host" should match the name line for the remote system in your schrodinger.hosts. |
usage/_Sidebar.md
| ... | ... | @@ -1,8 +1,8 @@ |
| 1 | 1 |  **[SBGrid Wiki](Home)** |
| 2 | 2 | |
| 3 | 3 | Support for Users |
| 4 | -* [Software Help](help) |
|
| 5 | -* [New Software Requests](help) |
|
| 4 | +* [Getting Started with SBGrid](getting_started) |
|
| 5 | +* [Software Help and Software Requests](help) |
|
| 6 | 6 | * [Supported Operating Systems](operatingsystems) |
| 7 | 7 | * [Overriding Default Software Versions](versions) |
| 8 | 8 | * [Install The Software On Your Laptop](laptopinstall) |
| ... | ... | @@ -26,4 +26,3 @@ Hardware Support Notes |
| 26 | 26 | |
| 27 | 27 | WSMR |
| 28 | 28 | * [Data Processing After WSMR](wsmr-worked) |
| 29 | - |
usage/getting_started.md
| ... | ... | @@ -0,0 +1,46 @@ |
| 1 | +## Getting Started |
|
| 2 | + |
|
| 3 | +### Using the SBGrid software collection |
|
| 4 | +The SBGrid software collection can be found installed at **/programs**. |
|
| 5 | + |
|
| 6 | +Bash users should initialize the SBGrid environment using : |
|
| 7 | + |
|
| 8 | + source /programs/sbgrid.shrc |
|
| 9 | + |
|
| 10 | +Tcsh users should initialize the SBGrid environment with : |
|
| 11 | + |
|
| 12 | + source /programs/sbgrid.cshrc |
|
| 13 | + |
|
| 14 | +On initialization, you should see the SBGrid welcome message |
|
| 15 | + |
|
| 16 | + |
|
| 17 | + |
|
| 18 | +### Making the configuration automatic |
|
| 19 | + |
|
| 20 | +To setup your terminal to automatically load the SBGrid environment, add the following to your configuration file: |
|
| 21 | + |
|
| 22 | +For Bash, in **~/.bashrc**, add : |
|
| 23 | + |
|
| 24 | + if [ -f /programs/sbgrid.shrc ] ; then |
|
| 25 | + source /programs/sbgrid.cshrc |
|
| 26 | + fi |
|
| 27 | + |
|
| 28 | +For tcsh, in **~/.tcshrc** or **~/.cshrc**, add : |
|
| 29 | + |
|
| 30 | + if ( -e /programs/sbgrid.cshrc) then |
|
| 31 | + source /programs/sbgrid.cshrc |
|
| 32 | + endif |
|
| 33 | + |
|
| 34 | +### Setting an alias |
|
| 35 | + |
|
| 36 | +If you would prefer to load the SBGrid environment on demand and not have to type the command above, you can set an alias to a shorter command of your choosing. |
|
| 37 | + |
|
| 38 | +For example, for bash in ~/.bashrc : |
|
| 39 | + |
|
| 40 | + alias sbg='source /programs/sbgrid.shrc' |
|
| 41 | + |
|
| 42 | +For tcsh in ~/.tcshrc, this would be |
|
| 43 | + |
|
| 44 | + alias sbg 'source /programs/sbgrid.cshrc' |
|
| 45 | + |
|
| 46 | +Questions or problems? Please email **bugs@sbgrid.org** |
usage/images/terminal1.png
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