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Alex Granovsky
gran@classic.chem.msu.su

add

 $p2p p2p=.t. dlb=.t. $end

to your input file. What is the interconnect between nodes?

Kind regards,
Alex Granovsky

On Wed May 9 '12 11:40pm, pruthvish wrote
-----------------------------------------
>hello,
>  Dear Sanya and Alex, Thank you for the kind reply. i did follow your suggestions and saw improvement in the performance in the system. but i still am not satisfied with it. the time reduction from a serial run to the parallel run with four nodes with two cores each for a large molecule with the implementation of the told suggestions was less than half. i am attaching the output file of the sample run. i would be grateful if anyone can advise me on how to better increase
>the performance of the existing system or if i should simply increase the number of nodes to improve the calculation speeds.
>Thanking you in advance.

>With best regards,
>Pruthvish.

>On Wed May 9 '12 8:01pm, Alex Granovsky wrote
>---------------------------------------------
>>Hi,

>>Sanya is absolutely correct in that *.ex files (which was not used
>>in your sample so that Firefly complains on the missed fastdiag and
>>tuned dgemm) are important for good scalability, as well as the use
>>of dynamic load balancing over P2P interface.

>>Another important point is that your test job is simply by far
>>too small to run it in parallel on more that say two or four cores.
>>Try to run larger job.  

>>Kind regards,
>>Alex Granovsky
>>
>>
>>On Wed May 9 '12 4:49pm, sanya wrote
>>------------------------------------
>>>Probably, the problem is in the following diagnostics:

>>>Processor-specific dynamic link DGEMM library code not loaded.
>>> Using built-in DGEMM code instead.
>>> Warning: running without fastdiag runtime extension!

>>>Probably, adding $SMP and $P2P groups may help