Airavata handling Gaussian Jobs

[DImuthu Upeksha <di...@gmail.com>]

Hi all,

Is there a specific way to handle Gaussian experiments in airavata? I found
this [1] handler that fires when Gaussian jobs come to GFacConfiguration
class. In gfac-config.xml it is mentioned to add Gaussian handler when the
experiment is a Gaussian type.

<Application name="Gaussian">
        <InHandlers>
            <Handler
class="org.apache.airavata.application.gaussian.handler.GaussianHandler"/>
        </InHandlers>
    </Application>

If it so, it requires the local main input file [2]. So
my mainInputFilePath should be something like /temp/input.txt. To do that I
have to copy my input file to machine that hosts Airavata. In my case I
work in a remote machine that doesn't have ssh access to Airavata hosted
machine. So I'm unable to copy my input file. But I can host my file in a
web server and populate it like http://www.textfiles.com/100/ad.txt. Is it
possible to give that file as my input file rather than a local file?

Here is the sample code I tried

List<InputDataObjectType> exIputs = new ArrayList<>();
        InputDataObjectType input = new InputDataObjectType();
        input.setName("MainInputFile");
        input.setType(DataType.URI);
        input.setValue("http://www.textfiles.com/100/ad.txt");
        exIputs.add(input);

It gives following error

Caused by: java.lang.Throwable: Main input file doesn't exists
http://www.textfiles.com/100/ad.txt

at
org.apache.airavata.gfac.core.handler.GFacHandlerException.<init>(GFacHandlerException.java:32)

at
org.apache.airavata.application.gaussian.handler.GaussianHandler.invoke(GaussianHandler.java:98)

at
org.apache.airavata.gfac.core.cpi.BetterGfacImpl.invokeInFlowHandlers(BetterGfacImpl.java:870)

... 7 more

[1]
https://github.com/apache/airavata/blob/airavata-0.15-release-branch/modules/gfac/gfac-application-specific-handlers/src/main/java/org/apache/airavata/application/gaussian/handler/GaussianHandler.java
[2]
https://github.com/apache/airavata/blob/airavata-0.15-release-branch/modules/gfac/gfac-application-specific-handlers/src/main/java/org/apache/airavata/application/gaussian/handler/GaussianHandler.java#L71

Thanks
Dimuthu
-- 
Regards

W.Dimuthu Upeksha
Undergraduate
Department of Computer Science And Engineering

University of Moratuwa, Sri Lanka