Configuring the local scratch directory (tmpdir)

The scratch directory (TMPDIR) is the location where temporary calculation files are stored during a simulation. Since the release of version 2025-3, the IGNORE_SCHRODINGER_HOSTS setting is enabled by default. This means the scratch directory for local jobs can no longer be configured using the tmpdir: setting within the localhost entry of the schrodinger.hosts file. Instead, the directory must be set using the tmpdir_value.py utility to update the preference files.

 

If the scratch directory needs to be changed after installation, use the tmpdir_value.py utility following the directions below.

 

How to configure the local scratch directory (tmpdir)

  • Windows
  • Mac
  • Linux

1. Set the Temporary Path

In a Schrödinger Command Prompt, enter:

run tmpdir_value.py --<option> --set <PATH_TO_TMPDIR>

Use the appropriate flag to define the scope of the setting.

The --<option> choices are: 

  • --user: applies settings only to the current user.

  • --machine: applies settings to all users on the current machine (requires administrative privileges).

  • --installation: applies settings to the current software installation (requires administrative privileges).

 

2. Restart the local job server

NOTE: changes will not take effect until the local job server is restarted.

In a Schrödinger Command Prompt, enter:

jsc local-server-stop
jsc local-server-start

 

3. Check the status of the localhost TMPDIR

In a Schrödinger Command Prompt, enter:

run tmpdir_value.py --get

 

 

 

Submit a test job

In a Schrödinger Command Prompt, enter:

testapp -t 300 -j tmpdir_test -HOST localhost

 

 

 

Identify the job ID

In a Schrödinger Command Prompt, enter:

jsc list

 

 

Check the running directory

In a Schrödinger Command Prompt, enter:

jsc info -vv <JOBID> | grep -i jobdir

 

 

Preference File Locations

User:

%LOCALAPPDATA%\Schrodinger<RELEASE>\Shared.xml

Machine:

C:\ProgramData\Schrodinger\suitepref.xml

Installation:

$SCHRODINGER\config\suitepref.xml

 

 

Search Hierarchy

Command Line Option:

-TMPDIR flag used during job submission

 

User Preference:

Specific to the individual user profile

 

Machine Preference:

Global to the hardware/OS

 

Installation Preference:

Specific to the Schrödinger software root

 

System Default:

%LOCALAPPDATA%\Schrodinger\tmp

 

1. Set the Temporary Path

In a Terminal, Run:

$SCHRODINGER/run tmpdir_value.py --<option> --set <PATH_TO_TMPDIR>

Use the appropriate flag to define the scope of the setting.

The --<option> choices are: 

  • --user: applies settings only to the current user.

  • --machine: applies settings to all users on the current machine (requires administrative privileges).

  • --installation: applies settings to the current software installation (requires administrative privileges).

 

2. Restart the local job server

NOTE: changes will not take effect until the local job server is restarted.

In a Terminal, Run:

$SCHRODINGER/jsc local-server-stop
$SCHRODINGER/jsc local-server-start

 

3. Check the status of the localhost TMPDIR

In a Terminal, Run:

$SCHRODINGER/run tmpdir_value.py --get

 

 

 

Submit a test job

In a Terminal, Run:

/opt/schrodinger/suites2026-1/testapp -t 300 -j tmpdir_test -HOST localhost

 

 

 

Identify the job ID

In a Terminal, Run:

/opt/schrodinger/suites2026-1/jsc list

 

 

Check the running directory

In a Terminal, Run:

/opt/schrodinger/suites2026-1/jsc info -vv <JOBID> | grep -i jobdir

 

 

Preference File Locations

User:

$HOME/.schrodinger/<RELEASE>/Shared.xml

Machine:

/Library/Application Support/Schrodinger/suitepref.xml

Installation:

$SCHRODINGER/config/suitepref.xml

 

 

Search Hierarchy

Command Line Option:

-TMPDIR flag used during job submission

 

User Preference:

Specific to the individual user profile

 

Machine Preference:

Global to the hardware/OS

 

Installation Preference:

Specific to the Schrödinger software root

 

System Default:

$HOME/.schrodinger/tmp

 

1. Set the Temporary Path

In a terminal, run

$SCHRODINGER/run tmpdir_value.py --<option> --set <PATH_TO_TMPDIR>

Use the appropriate flag to define the scope of the setting.

The --<option> choices are: 

  • --user: applies settings only to the current user.

  • --machine: applies settings to all users on the current machine (requires administrative privileges).

  • --installation: applies settings to the current software installation (requires administrative privileges).

 

2. Restart the local job server

NOTE: changes will not take effect until the local job server is restarted.

In a terminal, run

$SCHRODINGER/jsc local-server-stop
$SCHRODINGER/jsc local-server-start

 

3. Check the status of the localhost TMPDIR

In a terminal, run

$SCHRODINGER/run tmpdir_value.py --get
$SCHRODINGER/jsc local-server-start

 

 

 

Submit a test job

In a terminal, run

$SCHRODINGER/testapp -t 300 -j tmpdir_test -HOST localhost

 

 

 

Identify the job ID

In a terminal, run

$SCHRODINGER/jsc list

 

 

Check the running directory

In a terminal, run

$SCHRODINGER/jsc info -vv <JOBID> | grep -i jobdir

 

 

Preference File Locations

User:

$HOME/.schrodinger/<RELEASE>/Shared.xml

Machine:

/etc/opt/schrodinger/suitepref.xml

Installation:

$SCHRODINGER/config/suitepref.xml

 

 

Search Hierarchy

Command Line Option:

-TMPDIR flag used during job submission

 

User Preference:

Specific to the individual user profile

 

Machine Preference:

Global to the hardware/OS

 

Installation Preference:

Specific to the Schrödinger software root

 

System Default:

$HOME/.schrodinger/tmp