Processor use

Greetings,





I recently imported the NCI dataset into instant jchem, and during the SDF import I check to see how much CPU power the program is using for the task.





It seems that instant jchem is only using 20% of available processing power. Is there a way to devote more processor to instant j chem?





Also I'm having problems with LibraryMCS. I get the error "heap space". How can I increase the heap space in LibraryMCS?





Thanks so much,





Andrew

Most of the time is probably spent with disk IO (if you are using a local database) or network IO (if using a remote database).


Also, if you are using a multi-procesor and/or a multi-core machine then not all operations can utilise the available processors/cores, though in general IJC is fairly effiicent in doing so.





Tim

Hi,





What about the heap space problem?

you should be able to increase the amount of memory available (heap space etc.) using the startup options.


Look in the libmcs startup stripts (e.g bin/libmcs.bat) and look for the HEAP_LIMIT variable.





Tim

You can pass -Xmx to the batch/shell script programs that launch libmcs.


Btw, what's the size of your input?





Thanks


Miklos