when loading the attached structure, jchem doesn't responds.

User 5aca842213

07-10-2011 12:30:54

Hello



When loading the attached structure to the database, the program never
ends. I was waiting nearly 7 minutes, both CPU running at 100%. Finally I
aborted the loading of the structure.



Any advise? Is there a problem with the attached structure?



Jchem is installed in a Linux system and I use jcman to load the
structure. Until now, I didn't have any problem loading structures...



Thank you very much!!

ChemAxon efa1591b5a

10-10-2011 09:17:08

Hi, 


Which version of jchem (jcman) do you use?


Miklos

ChemAxon efa1591b5a

10-10-2011 10:38:33

Hi,


I checked this with version 5.6. I managed to import the structure, but as you pointed out it put an extra load on both cores. 


The default jvm heap size was not sufficient, but adding a generous 1GB (jcman -Xmx1024M) worked. It took on my 4y old intel core 2 duo 35secs to import it.


I suspect that ring search handles this structure with difficulties - we will improve that later.


Can you try the import with adding extra heap space to your jvm?


 


Regards


Miklos

User 5aca842213

10-10-2011 14:39:24

Hello


 


Thank you very much... For the moment I could check that my computer doesn't have enough memory for loading the structucture :-)


Thank you any way, I'll try to find another computer....

ChemAxon efa1591b5a

11-10-2011 22:24:54

You can try with smaller VM heap size like 512M. Does this work for you?


Miklos