Firefly and PC GAMESS-related discussion club

 
Learn how to ask questions correctly  
 
 

 

Alex Granovsky
gran@classic.chem.msu.su

you need to run Firefly in parallel. The CPU you have has
two physical cores and four logical cores if HT is enabled.

I'd suggest you to run in parallel on two cores using two instances
of Firefly. Alternatively, you may add the following line:

 $smp httfix=.f. %end

to your input and run on four logical cores.

To run in parallel, look at these documents:

http://classic.chem.msu.su/gran/gamess/bindings.html

http://classic.chem.msu.su/gran/gamess/windows_nt-mpich-smp.html

Hope this helps.

Kind regards,
Alex Granovsky


On Wed Nov 28 '12 9:58pm, Dr. Siddheshwar Chopra wrote
------------------------------------------------------
>Sir i am a physicist curious to dive into computational field. I hve some experience with gaussian...but have left it after trying firefly.. i hve installed 7.1g version on winXP with dual core 2ghz. It used 70% cpu for benzene optimization. I then installed firefly version8 on i3 2330m processor, with avx enabled...i run the same calculations and i get this message "operating system doesnt support avx. So disabling it." And out of 4 cores, only one is used with 25%cpu usage. I want to use atleast 3 cores sir...please help...