[Dockdev] Re: Re: opteron error

[Tan Guangming]

DOCK
Hello£¡

	I find that there are two functions for generating a random number. I use the other random number generating function to get the results on Opteron and Xeon because it works well, but give different results. 
>float Random_Number_Generator::get_random_number() {

> float num;
>  if (generator_choice == SYSTEM_RANDOM_NUMBER_GENERATOR)
>    num = (float) rand() / (float) RAND_MAX;
>  else
>    num = independent_rand();
>  return num;
>}
	I didn't change the parameter file "mtx.in".
	Thanks!

======= 2005-01-21 02:44:45 ÄúÔÚÀ´ÐÅÖÐдµÀ£º=======

>Dear Tan,
>
>   For the segmentation fault in the demo, the first thing to check is that 
>you have that you have a functioning version of python.  If you do not have 
>this working, then dock will seg fault.
>   For the second question, a)  If you can't get the code to work, where 
>are the numbers from? and b) did you change something in the parameters 
>because only 231 orientations passed for the Xenon whereas 233 passed for 
>the Opteron?  If you could answer these questions, I may be able to help 
>you more.
>
>Sincerely,
>Terry
>
>
>At 05:51 AM 1/20/2005, you wrote:
>>Hello!
>>I compiled dock 5.1.1 on Opteron processor Linux platform, it shows the 
>>SEGMENTATION FAULT error message when I run the demo. I traced the program 
>>and found that one instruction j=iy/NDIV in the function 
>>Random_Number_Generator::independent_rand() gived the error,i.e. iy = 
>>19371779413, NDIV=67108862, however, j = 8156!
>>Besides, the final results on AMD Opteron is different from that on Intel 
>>Xeon!
>>Xeon:
>>  .  ...
>>         Orientations Passed : 231
>>  .....
>>         Energy score: -40.376114
>>                         vdw:  -19.698305
>>                         es:       -20.677811
>>Opteron:
>>.  ...
>>         Orientations Passed : 233
>>  .....
>>         Energy score: -50.252425
>>                         vdw:  -23.808451
>>                         es:       -21.243562
>>Why?
>>
>>
>>¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡
>>
>>
>>¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡Tan Guangming
>>                            National Research Center for Intelligent 
>> Computing Systems,
>>                            Institute of Computing Technology,
>>                            Chinese Academy of Sciences
>>
>>                            6#, South Road, Kexueyuan, Zhongguancun,
>>                        Beijing, P.R.China
>>                        P.O.Box 2704   Zip Code 100080
>>
>>                Phone: 86-10-62565533 ext. 5730
>>¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡tgm at ncic.ac.cn
>>¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡2005-01-20

= = = = = = = = = = = = = = = = = = = =
			

¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡ÖÂ
Àñ£¡
 
				 
¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡Tan Guangming
¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡tgm at ncic.ac.cn
¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡2005-01-21

-------------- next part --------------
A non-text attachment was scrubbed...
Name: fox.gif
Type: image/gif
Size: 9519 bytes
Desc: not available
Url : http://blur.compbio.ucsf.edu/pipermail/dockdev/attachments/20050121/fb0e446f/fox.gif