[Wien] =?iso-2022-jp?B?UmU6W1dpZW5dIFJlOiBbV2llbl0=?=

[Peter Blaha]

> >Does lapw1 run in single mode ? LOPW errors often occur when your struct
> >file is wrong and some atoms are specified twice.
>
> Yes, serial mode lapw1 runs without problem, and k-point level parallel version also runs without problem.

Ok, I hope you have used the same directory and identical inputs,...

> I'd like to try it. I appreciate if you put it on the web site sooner.

It is available at www.wien2k.at/reg_user/updates. Just download
SRC_lapw1.tar.gz
and use the update option of siteconfig.

> %mpirun -np 4 -machinefile m /home/wien2k/WIEN2k_03_3/lapw1_mpi
> lapw1_1.def
>  Using            4  processors, My ID =            0
>  Using            4  processors, My ID =            2
>  Using            4  processors, My ID =            1
>  Using            4  processors, My ID =            3
> FORTRAN STOP LOPW - Error
> FORTRAN STOP LOPW - Error
> FORTRAN STOP LOPW - Error
> FORTRAN STOP LOPW - Error
>
> Same errors "LOPW  - Error" appeared as the case for lapw1.def.
>
> Do you have any suggestions to do at the next step?

Try mpirun -np 1  and   2   instead of 4

What is your testcase ? How large is the matrixsize (grep :RKM case.output1)
How many LOs do you have ?

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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