[Wien] MPI_COMM_DUP function

[Nobuaki Igarashi]

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