Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 



Re: Firefly-8.0.1 is not using all the cores of processor...

Alex Granovsky
gran@classic.chem.msu.su


Dear Siddheshwar,

I'm sorry for the delayed answer.

First, what is the MPI implementation that is installed onto your
computer (i.e. the MPI implementation you are using) and  what is
the MPI implementation the version of Firefly you are using was
linked with? It seems there can be MPI implementations mismatch
and this is why I'm asking about this. I.e. you may be trying to
run mpich-1 version using mpirun of MPICH2 etc...

Second, Intel's i3 processor has only 2 physical cores.
The addition two cores are due to hyper-threading. Normally,
Firefly uses only one process per physical core. This means
you should run it passing "-np 2" arguments to mpirun.
If you want to use all four logical cores it is still possible,
however you need to specify:

  
 $smp httfix(1)=.f. $end

in the input file, then run Firefly using mpirun -np 4

Kind regards,
Alex Granovsky



On Sat Feb 15 '14 10:47am, Siddheshwar Chopra wrote
---------------------------------------------------
>Dear Sir,
>I am running calculations on Linux mint-15, with i3 processor-2.2 GHz, 2GB RAM. I am running Firefly-8.0.1 as follows:
>mpirun -np 4 firefly801 -i /home/sid/Desktop/Fire/1.inp -o /home/sid/Desktop/Fire/1.log

>But I get the following error message and the system monitor also shows that ONLY 2 processors are being used.
>
>
>                           Running on host matrix                           Running on host matrix
>
>
> FATAL ERROR INITIALIZING FIREFLY! CHECK YOUR COMMAND LINE OPTIONS!
>x
>
>
> FATAL ERROR INITIALIZING FIREFLY! CHECK YOUR COMMAND LINE OPTIONS!
>
>
> ON MASTER NODE, ERROR CODE IS : 0x00010004 ON MASTER NODE, ERROR CODE IS : 0x00010004
>    Unable to create output file
>    Output file already exists!
>
>
>    Unable to create output file
>    Output file already exists!

>                           Running on host matrix
>
>
> FATAL ERROR INITIALIZING FIREFLY! CHECK YOUR COMMAND LINE OPTIONS!

> ON MASTER NODE, ERROR CODE IS : 0x00010004
>    Unable to create output file
>    Output file already exists!

>Please tell me what has to be done so that Firefly uses 4 processors/threads?
>
>
>Regards,


[ Previous ] [ Next ] [ Index ]           Thu Feb 20 '14 0:13am
[ Reply ] [ Edit ] [ Delete ]           This message read 562 times