multiprocessor/multicomputer support for reactor

Dear Chemaxon,





I am an academic user using reactor predicting biodegradations pathways. Our project use reactor to do batch job in our code. (That means our system executes reactor over and over again in a batch mode). It is a very time-consuming process, and I am looking for parallel computing methods to improve the performance. I attended Boston UGM and am glad to hear Chemaxon claims to support multiprocessor/multicomputer in its future plans. Can you give me an approximate timeline for that? (when will the reactor be released , so it can support multiprocessor/ multicomputer).





As far as I know, there are few approaches to do parallel computing in Java-based system. (It is not as easy as using MPI to do parallel computing within C/C++ scripts). So I will be glad to if the multiprocessor/ multicomputer version reactor can be released soon. Or I have to consider developing some infrastructures to support parallel computing in some different ways.





Thanks!





Regards,


Jeff

Hi Jeff,





Reactor with multiprocessor support will be released in JChem 5.2, which is scheduled for early next year.





Zsolt

Zsolt wrote:

Hi Jeff, Reactor with multiprocessor support will be released in JChem 5.2, which is scheduled for early next year. Zsolt

Thanks Zsolt. Does that means reactor will also support multicomputer (cluster computing) at that time?

JeffGao wrote:

Thanks Zsolt. Does that means reactor will also support multicomputer (cluster computing) at that time?

No, there will be only multiprocessor support in the 5.2 version.





Zsolt

Zsolt wrote:

JeffGao wrote: Thanks Zsolt. Does that means reactor will also support multicomputer (cluster computing) at that time? No, there will be only multiprocessor support in the 5.2 version. Zsolt

Thanks Zsolt. Do you know will the multiprocessor support be implemented by Java threads or other approaches (e.g., java MPI, etc.) in the 5.2 version?

The solution will use the chemaxon.util.concurrent package, which is based on the java.util.concurrent package.





Zsolt

Zsolt wrote:

The solution will use the chemaxon.util.concurrent package, which is based on the java.util.concurrent package. Zsolt

Thanks Zsolt.