add -xW to AIX

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If you have trouble compiling Yambo, please make sure to list:
(1) the compiler (vendor and release: e.g. intel 10.1)
(2) the architecture (e.g. 64-bit IBM SP5)
(3) if the problems occur compiling in serial/in parallel
(4) the version of Yambo (revision number/major release version)
(5) the relevant compiler error message

add -xW to AIX

Postby kazemoor » Wed Jun 30, 2010 1:21 pm

Dear All
Does anyone know how can I add -xW option to my configuration in power6 machines ?
I used this as my configuration:
./configure --build=powerpc-ibm FC=xlf90_r F77=xlf_r CC=xlc_r CPP=cpp FCFLAGS="-O2 -q64 -qstrict -qarch=pwr6 -qtune=pwr6 -qmaxmem=-1 -qsuffix=f=f" CFLAGS="-q64" UFFLAGS="-q64 -O0" --with-p2y="4.0" --with-iotk=/u/kazempou/espresso-4.0.5/iotk


and the system was compiled successfuly, But when I want to use p2y to import pwscf to yambo it failes in serial or parallel run and the error is :
ERROR: 0032-184 MPI was not finalized in routine unknown, task 0
Daniele suggested me if it is possible I use -xW insted of -xT according to similar post reported in yambo fourom to remove that error originate from parallel computation, But I don't know hot to add -xT or -xW option and it produce on machines with ifort and mpich. So i confused that can I use -xW in above configuration or not?
Thanks a lot
Ali Kazempour,Isfahan Univ of Tech,Physics dept,Iran
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Re: add -xW to AIX

Postby Daniele Varsano » Wed Jun 30, 2010 2:02 pm

Dear Ali,
your problem it is not related to parallelism, and p2y can be run also in serial even if you
compiled yambo in a parallel environment.

I don't how to help you, but may you can try to compile the iotk libraries with the same
options you used to compile yambo, and then compile yambo again.

May be someone else can help you!!!

Cheers,

Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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Re: add -xW to AIX

Postby Conor Hogan » Mon Jul 05, 2010 1:07 pm

Dear Ali,

Regarding "-xW" and "-xT", these are flags for the INTEL (ifort) compiler, so should not be used on a power6 with xlf compiler.

As for the other error message, you should tell us more about the failure of the job. Does anything get written by p2y? Is the SAVE directory created?
It is better anyway to run p2y with one processor (a parallel job with 1 processor is fine), otherwise you just waste cpu.

Conor
Dr. Conor Hogan
CNR-ISM, via Fosso del Cavaliere, 00133 Roma, Italy;
Department of Physics and European Theoretical Spectroscopy Facility (ETSF),
University of Rome "Tor Vergata".
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Re: add -xW to AIX

Postby faffinito » Wed Oct 13, 2010 3:39 pm

I obtained many times the same error message, even if all computations were fine. So, I suppose, it is only a warning related to some missing MPI declarations.
If you don't obtain the desired results maybe there's some other reason (different file formats, etc.). Don't be misled by that message.
Fabio Affinito, PhD
CINECA - SCAI group
InterUniversity Computer Center
Via Magnanelli, 6/3
Casalecchio di Reno (Bologna) ITALY
+39/051/6171794 (Phone)
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