Schrodinger: Difference between revisions

From DISI
Jump to navigation Jump to search
(Created page with "SCHRODINGER - getting it running. Debugging: Make sure that the variable $LM_LICENSE_FILE has port@same_exact_server_name_as_in_license_file. Make sure the port is open in ...")
 
(Edited to include additional information from Lab Manual regarding Schrodinger)
Line 1: Line 1:
SCHRODINGER - getting it running.
SCHRODINGER - getting it running.


Debugging:
= Debugging: =


Make sure that the variable $LM_LICENSE_FILE has port@same_exact_server_name_as_in_license_file.
Make sure that the variable $LM_LICENSE_FILE has port@same_exact_server_name_as_in_license_file.
Line 13: Line 13:
  $SCHRODINGER/licadmin SERVERDOWN
  $SCHRODINGER/licadmin SERVERDOWN
  $SCHRODINGER/licadmin SERVERUP -l $SCHRODINGER/lmgrd.log -c $SCHRODINGER/license.dat
  $SCHRODINGER/licadmin SERVERUP -l $SCHRODINGER/lmgrd.log -c $SCHRODINGER/license.dat
= Installing Schrodinger =
First you need to go to the website and download the software.  You should end up with two files: Schrodinger Worflow … .zip and Schrodinger Suites …..tar
scp both these files to the server, to the schrodinger directory.
On the server, in the schrodinger directory mkdir MonthYear.  cd into that directory Untar the tar file and run the INSTALL script.  At the end you’ll see something like this:
<nowiki>*) Licensing</nowiki>
    You will need one or more licenses before you can run the
    software you have just installed. <br />
    Please note the following information, which you will need in
    order to generate a license key: <br />
    Host ID: 001e0bd543b8
    Machine name: nfshead2.bkslab.org <br />
    If you are not performing this installation on your license
    server, you will need the output of: <br />
    $SCHRODINGER/machid -hostid




[[Category:Sysadmin]]
[[Category:Sysadmin]]

Revision as of 19:07, 28 June 2016

SCHRODINGER - getting it running.

Debugging:

Make sure that the variable $LM_LICENSE_FILE has port@same_exact_server_name_as_in_license_file.

Make sure the port is open in iptables

source /nfs/software/schrodinger/env.sh

Try some combination of the following:

$SCHRODINGER/licadmin STAT -c $SCHRODINGER/license.dat
$SCHRODINGER/licadmin REREAD -l $SCHRODINGER/lmgrd.log -c $SCHRODINGER/license.dat
$SCHRODINGER/licadmin SERVERDOWN
$SCHRODINGER/licadmin SERVERUP -l $SCHRODINGER/lmgrd.log -c $SCHRODINGER/license.dat

Installing Schrodinger

First you need to go to the website and download the software. You should end up with two files: Schrodinger Worflow … .zip and Schrodinger Suites …..tar scp both these files to the server, to the schrodinger directory. On the server, in the schrodinger directory mkdir MonthYear. cd into that directory Untar the tar file and run the INSTALL script. At the end you’ll see something like this:

*) Licensing
   You will need one or more licenses before you can run the
   software you have just installed. 
Please note the following information, which you will need in order to generate a license key:
Host ID: 001e0bd543b8 Machine name: nfshead2.bkslab.org
If you are not performing this installation on your license server, you will need the output of:
$SCHRODINGER/machid -hostid