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From: Stefan Z. <ste...@uc...> - 2007-02-16 11:22:52
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Hi Mark, Glad to hear it. The ordering of elements in the MPIApplication block wasn't an issue in previous versions of GridSAM, so I guess this is due to a change in the way that JSDL is processed in GridSAM 2.x Stefan. Mark HB wrote: > Dear Stefan, > > That worked! excellent. Just in case you still want it, the jsdl is below > > Regards > Mark > > <JobDefinition xmlns="http://schemas.ggf.org/jsdl/2005/11/jsdl"> > <JobDescription> > <JobIdentification> > <JobName>NAMD_NGS_MAN</JobName> > <Description>THIS IS FOR NAMD ON THE NGS</Description> > <JobAnnotation>NAMD Annotation</JobAnnotation> > <JobProject>AHE Project</JobProject> > </JobIdentification> > <Application> > <mpi:MPIApplication > xmlns="http://schemas.ggf.org/jsdl/2005/11/jsdl-posix" xmlns:m > pi="urn:gridsam:mpi"> > > > <Executable>/home/ngs0386/bin/cimmsim</Executable><Argument>datPlain12</Argument>< > Output>stdout.txt</Output><Error>stderr.txt</Error><WorkingDirectory>24141116110754609957</Wor > kingDirectory><WallTimeLimit>720</WallTimeLimit><mpi:ProcessorCount>1</mpi:ProcessorCount></mp > i:MPIApplication> > </Application> > > <DataStaging><FileName>datPlain12</FileName><CreationFlag>overwrite</CreationFlag><DeleteO > nTermination>false</DeleteOnTermination><Source><URI>http://test:to...@ig...: > 18080/filestage/24141116110754609957/datPlain12</URI></Source></DataStaging><DataStaging><File > Name>stdout.txt</FileName><CreationFlag>overwrite</CreationFlag><DeleteOnTermination>false</De > leteOnTermination><Target><URI>webdav://test:to...@ig...:18080/filestage/2414 > 1116110754609957/stdout.txt</URI></Target></DataStaging><DataStaging><FileName>stderr.txt</Fil > eName><CreationFlag>overwrite</CreationFlag><DeleteOnTermination>false</DeleteOnTermination><T > arget><URI>webdav://test:to...@ig...:18080/filestage/24141116110754609957/std > err.txt</URI></Target></DataStaging><DataStaging><FileName>_th-details.out</FileName><Creation > Flag>overwrite</CreationFlag><DeleteOnTermination>false</DeleteOnTermination><Target><URI>webd > av://test:to...@ig...:18080/filestage/24141116110754609957/_th-details.out</U > RI></Target></DataStaging></JobDescription> > <myproxy:MyProxy > xmlns:myproxy="urn:gridsam:myproxy"><myproxy:ProxyServer>myproxy.grid-support > .ac.uk</myproxy:ProxyServer><myproxy:ProxyServerDN>/C=UK/O=eScience/OU=CLRC/L=DL/CN=host/mypro > xy.grid-support.ac.uk/E=a...@dl...</myproxy:ProxyServerDN><myproxy:ProxyServerPort> > 7512</myproxy:ProxyServerPort><myproxy:ProxyServerUserName>ghall04</myproxy:ProxyServerUserNam > e><myproxy:ProxyServerPassPhrase>any1any1</myproxy:ProxyServerPassPhrase><myproxy:ProxyServerL > ifetime>7512</myproxy:ProxyServerLifetime></myproxy:MyProxy></JobDefinition> > > > Stefan Zasada wrote: >> Hi, >> >> In the previous Util.pm I put the CPUCount element after the posix >> block, but from the error you got Mark, it could be that GridSAM is >> looking for CPUCount directly after wallTimeLimit? I've updated Util.pm >> to put CPUCount directly after wallTimeLimit at the end of the >> MPIApplication block (it's at the same url). Could you try giving this a go? >> >> Also, could you send the JSDL generated? >> >> Cheers, >> >> Stefan. >> >> Gordon Stewart wrote: >> >>> Well, the error has changed a little, but I'm not sure whether it's for >>> the better or worse... >>> >>> The GGF give an example MPI JSDL file for GridSAM >>> (http://www.ggf.org/GGF17/materials/253/gridsam-jsdl-mpi-sample.pdf): >>> >>> ... >>> <JobDescription> >>> <Application >>> xmlns:posix="http://schemas.ggf.org/jsdl/2005/11/jsdl-posix"> >>> <mpi:MPIApplication xmlns:mpi="urn:gridsam:mpi"> >>> <posix:Executable>/bin/some-parallel-app</posix:Executable> >>> <posix:Argument>hello world</posix:Argument> >>> <posix:Environment name="ABC">DEF</posix:Environment> >>> <mpi:ProcessorCount>10</mpi:ProcessorCount> >>> <xyz:OtherExtension xmlns:xyz="urn:xyz">My >>> Extension</xyz:OtherExtension> >>> </mpi:MPIApplication> >>> </Application> >>> </JobDescription> >>> ... >>> >>> Assuming that the generated JSDL now has this form, I'm not really sure >>> what could be causing these errors. It now seems to be complaining >>> about the existence of the POSIX elements within the MPIApplication >>> element, but they are clearly allowed. Perhaps you could post the new >>> JSDL to see if that provides any further inspiration? >>> >>> Gordon >>> >>> -----Original Message----- >>> From: gri...@li... >>> [mailto:gri...@li...] On Behalf Of Mark >>> HB >>> Sent: 16 February 2007 09:28 >>> To: Stefan Zasada >>> Cc: cax...@gm...; gri...@li... >>> Subject: Re: [gridsam-discuss] GRIDSam/AHE Invalid JSDL v1.0 job >>> >>> >>> Dear Stefan, >>> >>> Unfortunately it doesn't seem to fix it for me. >>> I did this: >>> 1) Copied new Util.pm to OMII/jakarta-tomcat-5.0.25/webapps/ahe/src/AHE >>> 2) restarted OMII server >>> 3) ran the ahe_destroy....... & ahe_create.... scripts (just in case) >>> 4) Run the ahe-client as before, but got the error as before >>> >>> Error: >>> Description: Invalid JSDL v1.0 job description: [error: >>> cvc-complex-type.2.4a: Expected element 'ProcessorCount@urn:gridsam:mpi' >>> >>> instead of 'Executable@http://schemas.ggf.org/jsdl/2005/11/jsdl-posix' >>> here in element MPIApplication@urn:gridsam:mpi, error: >>> cvc-complex-type.2.4a: Expected element 'ProcessorCount@urn:gridsam:mpi' >>> >>> instead of 'Argument@http://schemas.ggf.org/jsdl/2005/11/jsdl-posix' >>> here in element MPIApplication@urn:gridsam:mpi, error: >>> cvc-complex-type.2.4a: Expected element 'ProcessorCount@urn:gridsam:mpi' >>> >>> instead of 'Output@http://schemas.ggf.org/jsdl/2005/11/jsdl-posix' here >>> in element MPIApplication@urn:gridsam:mpi, error: cvc-complex-type.2.4a: >>> >>> Expected element 'ProcessorCount@urn:gridsam:mpi' instead of >>> 'Error@http://schemas.ggf.org/jsdl/2005/11/jsdl-posix' here in element >>> MPIApplication@urn:gridsam:mpi, error: cvc-complex-type.2.4a: Expected >>> element 'ProcessorCount@urn:gridsam:mpi' instead of >>> 'WorkingDirectory@http://schemas.ggf.org/jsdl/2005/11/jsdl-posix' here >>> in element MPIApplication@urn:gridsam:mpi] >>> >>> >>> Stefan Zasada wrote: >>> Dear Mark and Carlos, >>> >>> I've modified Util.pm to put the <mpi:ProcessorCount> >>> element after the JSDL posix stuff. Get it from: >>> >>> http://ccs.chem.ucl.ac.uk/~stefan/Util.pm >>> >>> Replace the Util.pm in your AHE distribution with it and let me know >>> >>>> if >>>> >>> it works. >>> >>> Cheers, >>> >>> Stefan. >>> >>> Gordon Stewart wrote: >>> >>> >>>>>> There's a file called Util.pm.mpi in the >>>>>> $OMII/jakarta-tomcat-5.0.25/webapps/ahe/src/AHE directory of the OMII >>>>>> 3.2.0 installation (and also in the ahe.war file within the >>>>>> >>>> installation >>>> >>>>>> bundle) that, at a brief glance, appears to contain the code which >>>>>> builds the JSDL. >>>>>> >>>>>> I'm not sure what changes you would have to make in order to modify >>>>>> >>>> the >>>> >>>>>> order of elements. >>>>>> >>>>>> Gordon >>>>>> >>>>>> >>>>>> -----Original Message----- >>>>>> From: Carlos Alexandre Queiroz [mailto:cax...@gm...] >>>>>> Sent: 16 February 2007 08:57 >>>>>> To: Gordon Stewart >>>>>> Cc: Mark HB >>>>>> Subject: Re: [gridsam-discuss] GRIDSam/AHE Invalid JSDL v1.0 job >>>>>> >>>>>> Humm, it is a good guess, however, AHE-Server is generating this >>>>>> jsdl, anyone knows where we have to change it in order to >>>>>> generate a different jsdl file ?? >>>>>> >>>>>> >>>>>> thx, >>>>>> >>>>>> cax >>>>>> >>>>>> >>>>>> On 16/02/2007, at 7:49 PM, Gordon Stewart wrote: >>>>>> >>>>>> >>>>>> >>>>>>> Hi, >>>>>>> >>>>>>> Looking at the error message, it would appear to be the JSDL which >>>>>>> is at >>>>>>> fault. I've had errors in the past where the order of elements >>>>>>> differs >>>>>>> from what the parser is expecting. According to the GridSAM >>>>>>> documentation for the MPIApplication element at >>>>>>> http://gridsam.sourceforge.net/2.0.0/gridsam-client/jsdl.html, the >>>>>>> definition is: >>>>>>> >>>>>>> >>>>>> >>>>>> >>>>>>> <jsdl:Application> >>>>>>> .. >>>>>>> <mpi:MPIApplication xmlns:mpi="urn:gridsam:mpi"> >>>>>>> <jsdl-posix:*/>* >>>>>>> <mpi:ProcessorCount>xsd:positiveInteger</mpi:ProcessorCount> >>>>>>> </mpi:MPIApplication> >>>>>>> .. >>>>>>> </jsdl:Application> >>>>>>> >>>>>>> >>>>>> >>>>>> >>>>>>> The POSIX application type (the jsdl-posix: element above) is >>>>>>> defined in >>>>>>> the XML schema as a sequence, which requires the child elements to >>>>>>> appear in the order specified. My guess (and it's only a guess as >>>>>>> I've >>>>>>> never used the MPI extensions) would be that this is the same with >>>>>>> MPIApplication, and that it is objecting to the ProcessorCount >>>>>>> >>>> element >>>> >>>>>>> appearing before the POSIX stuff; relocating this after the >>>>>>> WallTimeLimit element may help. >>>>>>> >>>>>>> >>>>>> >>>>>> >>>>>>> Gordon >>>>>>> >>>>>>> >>>>>> >>>>>> >>>>>>> -----Original Message----- >>>>>>> From: gri...@li... >>>>>>> [mailto:gri...@li...] On Behalf Of >>>>>>> >>>>>>> Mark >>>>>>> HB >>>>>>> Sent: 16 February 2007 07:11 >>>>>>> To: gri...@li... >>>>>>> Subject: [gridsam-discuss] GRIDSam/AHE Invalid JSDL v1.0 job >>>>>>> >>>>>>> Hey, >>>>>>> Sincere apologies if this has sent twice! >>>>>>> >>>>>>> I am using AHE bundled with OMII server and have created a gridsam >>>>>>> instance to point at the Manchester node of the NGS (thanks list for >>>>>>> helping sort that out). >>>>>>> This GRIDSam instance was installed by following the instructions >>>>>>> found >>>>>>> at: >>>>>>> omii-server-3.2.0/managed_programme/AHE-1.0.2/dist/server/docs/ >>>>>>> index.htm >>>>>>> l >>>>>>> >>>>>>> However when I try to run a job, it all goes wrong. >>>>>>> Please find below the error I get, my jobmanger.xml and then the >>>>>>> >>>> JSDL >>>> >>>>>>> message itself. >>>>>>> Can anyone help? >>>>>>> >>>>>>> Cheers >>>>>>> Mark >>>>>>> >>>>>>> ############## ERROR ############## >>>>>>> >>>>>>> 12:37:20 INFO (StartCall.java:182) - AHE Job Owner: >>>>>>> /C=UK/O=eScience/OU=Imperial/L=LeSC/CN=mark halling-brown >>>>>>> 12:37:20 INFO (StartCall.java:176) - GridSAM Job ID: >>>>>>> urn:gridsam:ff80808210c53a780110c5681f5f000a >>>>>>> 12:37:20 INFO (StartCall.java:176) - GridSAM Job ID: >>>>>>> urn:gridsam:ff80808210c53a780110c5681f5f000a >>>>>>> 12:37:20 INFO (StartCall.java:176) - GridSAM Job ID: >>>>>>> urn:gridsam:ff80808210c53a780110c5681f5f000a >>>>>>> 12:37:20 INFO (StartCall.java:176) - GridSAM Job >>>>>>> ID:urn:gridsam:ff80808210c53a780110c5681f5f000a >>>>>>> 12:37:20 INFO (StartCall.java:176) - GridSAM Job >>>>>>> ID:urn:gridsam:ff80808210c53a780110c5681f5f000a >>>>>>> 12:37:20 INFO (StartCall.java:197) - GridSAM Job State: pending >>>>>>> 12:37:20 INFO (StartCall.java:179) - GridSAM State Description:job >>>>>>> >>>> is >>>> >>>>>>> being scheduled >>>>>>> 12:37:20 INFO (StartCall.java:185) - GridSAM Job submission time: >>>>>>> 2007-02-15T12:37:19.840Z >>>>>>> 12:37:20 INFO (StartCall.java:185) - GridSAM Job submission time: >>>>>>> 2007-02-15T12:37:19.840Z >>>>>>> 12:37:20 INFO (StartCall.java:197) - GridSAM Job State: failed >>>>>>> 12:37:20 INFO (StartCall.java:179) - GridSAM State Description: >>>>>>> Invalid JSDL v1.0 job description: [error: cvc-complex-type.2.4b: >>>>>>> Element not allowed: >>>>>>> Executable@http://schemas.ggf.org/jsdl/2005/11/jsdl-posix in element >>>>>>> MPIApplication@urn:gridsam:mpi, error: cvc-complex-type.2.4b: >>>>>>> Element not allowed: >>>>>>> Argument@http://schemas.ggf.org/jsdl/2005/11/jsdl-posix in element >>>>>>> MPIApplication@urn:gridsam:mpi, error: cvc-complex-type.2.4b: >>>>>>> Element not allowed: >>>>>>> Output@http://schemas.ggf.org/jsdl/2005/11/jsdl-posix in element >>>>>>> MPIApplication@urn:gridsam:mpi, error: cvc-complex-type.2.4b: >>>>>>> Element not allowed: >>>>>>> Error@http://schemas.ggf.org/jsdl/2005/11/jsdl-posix in element >>>>>>> MPIApplication@urn:gridsam:mpi, error: cvc-complex-type.2.4b: >>>>>>> Element not allowed: >>>>>>> WorkingDirectory@http://schemas.ggf.org/jsdl/2005/11/jsdl-posix in >>>>>>> element MPIApplication@urn:gridsam:mpi, error: >>>>>>> >>>> cvc-complex-type.2.4b: >>>> >>>>>>> Element not allowed: >>>>>>> WallTimeLimit@http://schemas.ggf.org/jsdl/2005/11/jsdl-posix in >>>>>>> element >>>>>>> MPIApplication@urn:gridsam:mpi] >>>>>>> >>>>>>> ################ JOBMANAGER.XML ################ >>>>>>> <?xml version="1.0" encoding="UTF-8"?> >>>>>>> <module id="jobmanager.globus" version="1.0.0"> >>>>>>> <!-- dependent modules --> >>>>>>> <sub-module >>>>>>> descriptor="org/icenigrid/gridsam/resource/config/common.xml"/> >>>>>>> <sub-module >>>>>>> descriptor="org/icenigrid/gridsam/resource/config/embedded.xml"/> >>>>>>> <sub-module >>>>>>> descriptor="org/icenigrid/gridsam/resource/config/globus.xml"/> >>>>>>> <sub-module descriptor="database.xml"/> >>>>>>> <sub-module descriptor="authorisation.xml"/> >>>>>>> <!-- override the factory defaults here --> >>>>>>> <contribution configuration-id="hivemind.ApplicationDefaults"> >>>>>>> <!-- The job manager location --> >>>>>>> <default symbol="globus.JobManager" value="grid-data.man.ac.uk"/> >>>>>>> >>>>>>> <!-- The root file system for staging files >>>>>>> --> >>>>>>> <default symbol="globus.RootFileSystemURI" >>>>>>> value="gsiftp://grid-data.man.ac.uk"/> >>>>>>> <!-- How often the status of the job is polled >>>>>>> --> >>>>>>> <default symbol="globus.MonitoringPeriod" value="20000"/> >>>>>>> <!-- the default location of the classad generation script >>>>>>> WEB-INF/classes/rsl.groovy --> <default >>>>>>> symbol="globus.ScriptResource" value="rsl.groovy"/> >>>>>>> </contribution> >>>>>>> </module> >>>>>>> >>>>>>> #################### JSDL ######################## >>>>>>> <JobDefinition xmlns="http://schemas.ggf.org/jsdl/2005/11/jsdl"> >>>>>>> <JobDescription> >>>>>>> <JobIdentification> >>>>>>> <JobName>NAMD_NGS_MAN</JobName> >>>>>>> <Description>THIS IS FOR NAMD ON THE >>>>>>> >>>> NGS</Description> >>>> >>>>>>> <JobAnnotation>NAMD Annotation</JobAnnotation> >>>>>>> <JobProject>AHE Project</JobProject> >>>>>>> </JobIdentification> >>>>>>> <Application> >>>>>>> <mpi:MPIApplication >>>>>>> xmlns="http://schemas.ggf.org/jsdl/2005/11/jsdl-posix" >>>>>>> xmlns:mpi="urn:gridsam:mpi"> >>>>>>> <mpi:ProcessorCount>1</mpi:ProcessorCount> >>>>>>> <Executable>/home/ngs0386/bin/cimmsim</Executable> >>>>>>> <Argument>datPlain12</Argument> >>>>>>> <Output>stdout.txt</Output> >>>>>>> <Error>stderr.txt</Error> >>>>>>> <WorkingDirectory>195914151107445079635</WorkingDirectory> >>>>>>> <WallTimeLimit>720</WallTimeLimit> >>>>>>> </mpi:MPIApplication> >>>>>>> </Application> >>>>>>> >>>>>>> <DataStaging> >>>>>>> <FileName>datPlain12</FileName> >>>>>>> <CreationFlag>overwrite</CreationFlag> >>>>>>> <DeleteOnTermination>false</DeleteOnTermination> >>>>>>> >>>>>>> <Source><URI>http://test:to...@ig...:18080/ >>>>>>> filestage/19 >>>>>>> 5914151107445079635/datPlain12</URI></Source> >>>>>>> </DataStaging><DataStaging><FileName>stdout.txt</FileName> >>>>>>> <CreationFlag>overwrite</CreationFlag> >>>>>>> <DeleteOnTermination>false</DeleteOnTermination> >>>>>>> >>>>>>> <Target><URI>webdav://test:to...@ig...:18080/ >>>>>>> filestage/ >>>>>>> 195914151107445079635/stdout.txt</URI></Target> >>>>>>> </DataStaging> >>>>>>> <DataStaging> >>>>>>> <FileName>stderr.txt</FileName> >>>>>>> <CreationFlag>overwrite</CreationFlag> >>>>>>> <DeleteOnTermination>false</DeleteOnTermination> >>>>>>> >>>>>>> <Target><URI>webdav://test:to...@ig...:18080/ >>>>>>> filestage/ >>>>>>> 195914151107445079635/stderr.txt</URI></Target> >>>>>>> >>>>>>> >>>>>> >>>>>> >>>>>>> </DataStaging> >>>>>>> <DataStaging> >>>>>>> <FileName>_th-details.out</FileName> >>>>>>> <CreationFlag>overwrite</CreationFlag> >>>>>>> <DeleteOnTermination>false</DeleteOnTermination> >>>>>>> >>>>>>> <Target><URI>webdav://test:to...@ig...:18080/ >>>>>>> filestage/ >>>>>>> 195914151107445079635/_th-details.out</URI></Target> >>>>>>> </DataStaging> >>>>>>> </JobDescription> >>>>>>> <myproxy:MyProxy >>>>>>> >>>>>>> >>>> xmlns:myproxy="urn:gridsam:myproxy"><myproxy:ProxyServer>myproxy.grid- >>>> >>>>>>> >>>>>>> su >>>>>>> pport.ac.uk</myproxy:ProxyServer> >>>>>>> <myproxy:ProxyServerDN>/C=UK/O=eScience/OU=CLRC/L=DL/CN=host/ >>>>>>> myproxy.gri >>>>>>> d-support.ac.uk/E=a...@dl...</myproxy:ProxyServerDN> >>>>>>> <myproxy:ProxyServerPort>7512</myproxy:ProxyServerPort> >>>>>>> <myproxy:ProxyServerUserName>ghall04</myproxy:ProxyServerUserName> >>>>>>> <myproxy:ProxyServerPassPhrase>MYPSWORDHERE</ >>>>>>> myproxy:ProxyServerPassPhra >>>>>>> se> >>>>>>> <myproxy:ProxyServerLifetime>7512</myproxy:ProxyServerLifetime></ >>>>>>> myproxy >>>>>>> :MyProxy> >>>>>>> </JobDefinition> >>>>>>> >>>>>>> >>>>>> >>>>>> >>>>>>> -- >>>>>>> >>>>>>> >>>> ---------------------------------------------------------------------- >>>> >>>>>>> >>>>>>> -- >>>>>>> --- >>>>>>> Mark Halling-Brown | Tel: +44-20-7631-6839 >>>>>>> Research Associate | >>>>>>> Room 359 | Fax: +44-20-7631-6803 >>>>>>> School of Crystallography | >>>>>>> Birkbeck College | Email: >>>>>>> Malet Street | >>>>>>> >>>> gh...@ma... >>>> >>>>>>> London WC1E 7HX | ma...@gm... >>>>>>> UK | >>>>>>> http://people.cryst.bbk.ac.uk/~ghall04 >>>>>>> >>>>>>> >>>> ---------------------------------------------------------------------- >>>> >>>>>>> >>>>>>> -- >>>>>>> --- >>>>>>> >>>>>>> >>>>>> >>>>>> >>>> ---------------------------------------------------------------------- >>>> >>>>>>> >>>>>>> -- >>>>>>> - >>>>>>> Take Surveys. Earn Cash. Influence the Future of IT >>>>>>> Join SourceForge.net's Techsay panel and you'll get the chance to >>>>>>> share >>>>>>> your >>>>>>> opinions on IT & business topics through brief surveys-and earn cash >>>>>>> http://www.techsay.com/default.php? >>>>>>> page=join.php&p=sourceforge&CID=DEVDE >>>>>>> V >>>>>>> _______________________________________________ >>>>>>> GridSAM-Discuss mailing list >>>>>>> Gri...@li... >>>>>>> https://lists.sourceforge.net/lists/listinfo/gridsam-discuss >>>>>>> >>>>>>> >>>>>>> >>>> ---------------------------------------------------------------------- >>>> >>>>>>> >>>>>>> --- >>>>>>> Take Surveys. Earn Cash. Influence the Future of IT >>>>>>> Join SourceForge.net's Techsay panel and you'll get the chance to >>>>>>> share your >>>>>>> opinions on IT & business topics through brief surveys-and earn cash >>>>>>> http://www.techsay.com/default.php? >>>>>>> page=join.php&p=sourceforge&CID=DEVDEV >>>>>>> _______________________________________________ >>>>>>> GridSAM-Discuss mailing list >>>>>>> Gri...@li... >>>>>>> https://lists.sourceforge.net/lists/listinfo/gridsam-discuss >>>>>>> >>>>>>> >>>>>> cax >>>>>> ----------------------------- >>>>>> Think outside the box >>>>>> >>>>>> >>>>>> >>>>>> >>>>>> >>>>>> >>>>>> >>>>>> >>> - >>> >>>> ------------------------------------------------------------------------ >>>> - >>>> >>> Take Surveys. Earn Cash. Influence the Future of IT >>> Join SourceForge.net's Techsay panel and you'll get the chance to >>> >>>> share your >>>> >>> opinions on IT & business topics through brief surveys-and earn cash >>> >>> >>>> http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDE >>>> V >>>> >>> _______________________________________________ >>> GridSAM-Discuss mailing list >>> Gri...@li... >>> https://lists.sourceforge.net/lists/listinfo/gridsam-discuss >>> >>> >> > > -- Stefan Zasada <ste...@uc...> Centre for Computational Science Chemistry Department, University College London, 20 Gordon Street, London, WC1H 0AJ, UK. Tel: +44 (0)20 7679 5300 |