[Wien] mpiexec_mpt

[Luis Ogando]

Dear Prof. Marks and Rubel,

   Many thanks for your kind responses.
   I am forwarding your messages to the computation center. As soon as I
have any reply, I will contact you.

   I know that they have other wrappers (Intel MPI, for example), but they
argue that mpiexec_mpt is the optimized option.
   I really doubt that this option will succeed, because I am getting the
following error message in case.dayfile (bold)

================================================================================
Calculating InPwurt15InPzb3 in
/home/ice/proj/proj546/ogando/Wien/Calculos/InP/InPwurtInPzb/15camadasWZ+3ZB/InPwurt15InPzb3
on r1i0n8 with PID 6433
using WIEN2k_12.1 (Release 22/7/2012) in
/home/ice/proj/proj546/ogando/RICARDO2/wien/src


    start (Wed Jul 10 13:29:42 BRT 2013) with lapw0 (150/99 to go)

    cycle 1 (Wed Jul 10 13:29:42 BRT 2013) (150/99 to go)

>   lapw0 -grr -p (13:29:42) starting parallel lapw0 at Wed Jul 10 13:29:42
BRT 2013
-------- .machine0 : 12 processors
*mpiexec_mpt error: -machinefile option not supported.*
0.016u 0.008s 0:00.40 2.5% 0+0k 0+176io 0pf+0w
error: command   /home/ice/proj/proj546/ogando/RICARDO2/wien/src/lapw0para
-c lapw0.def   failed

>   stop error
================================================================================

   Related to -sgi option, I am using -pbs option because PBS is the
queueing system. As I said, I works well for parallel execution that uses
just one node.
   Many thanks again,
                 Luis



2013/7/11 Oleg Rubel <orubel at lakeheadu.ca>

> Dear Luis,
>
> Can you run other MPI codes under SGI scheduler on your cluster? In any
> case, I would suggest first to try the simplest check
>
> mpiexec -n $NSLOTS hostname
>
> this is what we use for Wien2k
>
> mpiexec -machinefile _HOSTS_ -n _NP_ _EXEC_
>
> the next line is also useful to ensure a proper CPU load
>
> setenv MV2_ENABLE_AFFINITY 0
>
>
> I hope this will help
> Oleg
>
>
> On 13-07-11 8:32 AM, Luis Ogando wrote:
>
>> Dear WIEN2k community,
>>
>>     I am trying to use WIEN2k 12.1 in a SGI cluster. When I perform
>> parallel calculations using  just "one" node, I can use mpirun and
>> everything goes fine (many thanks to Prof. Marks and his SRC_mpiutil
>> directory).
>>     On the other hand, when I want to use more than one node, I have to
>> use mpiexec_mpt and the calculation fails. I also tried the mpirun for
>> more than one node, but this is not the proper way in a SGI system and I
>> did not succeed.
>>     Well, I would like to know if anyone has experience in using WIEN2k
>> with mpiexec_mpt and could give me any hint.
>>      I can give more information. This is only an initial ask for help.
>>     All the best,
>>                        Luis
>>
>>
>>
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