[Pw_forum] nscf error

[Aritz Leonardo]

The error arises ONLY in the serial cluster (alpha machines).

To compile the program I used:
./configure -enable-shared -disable-parallel
 
The parallel version running on Linux-PC-s works correctly.
They both run the same script with the same parameters.

I will do what you say

Aritz

Paolo Giannozzi escribió:

>On Monday 08 November 2004 14:55, Aritz Leonardo wrote:
>
>  
>
>>The problem is machine-specific, because I run the same script
>>in a parallel cluster of Linux PC-s and every thing goes OK.
>>    
>>
>
>the former statement does not derive from the latter, unfortunately,
>but it is anyway an interesting piece of information. Is the error
>arising in serial or parallel or both cases ?
>
>  
>
>>I am almost sure that the problems appear whenever the number 
>>ok k-points is bigger than 9999.
>>    
>>
>
>compile with debug and bound check on; run once with 9999 k-points,
>and then with > 9999. Presently there is a limit of 40000 to the number 
>of k-points, and there are checks that this limit is never reached, but 
>who knows. 
>
>Paolo
>  
>