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[tom_y at livedoor.com]

Dear Wien2k deveopers and users,

I tested the latest source file for lapw1, which was uploaded by prof. 
Blaha. But I got a same error as before, when I directly called 
lapw1_mpi.
Again, error mesasge is as follows

%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

I also tried to use mpirun -np 1 or 2, but same errors happened 
as the case for -np 4. 

My test case is TiC unit cell which is the same one as in the wien2k 
manual.

Now I'm wondering whether the scalapack library has been compiled
successfully or not. Because lapw0_mpi runs without problem.
During siteconfig, I didn't get any errors.

Do anyone have experiences to make scalapack library using intel ifc
, icc and mkl on linux system?
I'm also trying to use ATLAS library.

I welcome any asuggestions.

sincereley,

Tom Yamamoto

>> >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
>-----------------------------------------------------------------------
---
>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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