multiprocessor/multicomputer support for reactor

User 941c2467a3

22-08-2008 19:23:17

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

ChemAxon e08c317633

25-08-2008 15:18:48

Hi Jeff,





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





Zsolt

User 941c2467a3

25-08-2008 16:38:51

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?

ChemAxon e08c317633

27-08-2008 10:01:44

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

User 941c2467a3

27-08-2008 14:44:11

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?

ChemAxon e08c317633

28-08-2008 11:01:57

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





Zsolt

User 941c2467a3

28-08-2008 15:37:43

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





Zsolt
Thanks Zsolt.