[Wien] MPI_COMM_DUP function

[Peter Blaha]

Thank's for the reply.

However remember: for a case like GaAs with matrixsize 200 I doubt that 
the mpi-parallelization speeds up the code (probably it is even slower 
than on 1 processor!?). Use the k-point parallel version.
Example scripts for pbs or loadleveler are on our faq page on www.wien2k.at

Nobuaki Igarashi schrieb:
> Dear Prof. Blaha,
> 
> Thank you for your reply.
> 
> Peter Blaha wrote:
> 
>> a) What case produced this error ? How many k-points do you have ?
>>    What is the matrix size (:RKM in scf1 file); how many processors did you use ?
> 
> It occured GaAs and some test calculations. In case of GaAs, the number
> of k-points is 73, matrix size is 198, and RKM is 6.82.
> I used 16 processors.
> 
>> b) sl_init is called for every k-point. So if you have many k-points, it
>>    could explain your problem. We have modified modules.F and I attach this file
>>    to this mail. Please replace modules.F in SRC_lapw1 and recompile.
> 
> I replaced it and recompiled. GaAs have completed without errors using
> new executable.
> 
> Thanks again.
> 
> Regards
> N.Igarashi
> 
> 
> 
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