[Wien] compilation problem IBM p5 AIX5.3

[Roberto Iglesias]

Hello Ricardo

  To add on what Torsten wrote, we had some problems with compiling in an IBMSP4 machine and the responsible 
finally used these settings:

current:FOPT:-q64 -O5  -qarch=pwr4 -qtune=pwr4 -qcache=auto -qstrict
current:FPOPT:-q64 -O5 -qarch=pwr4 -qtune=pwr4 -qcache=auto -qstrict
current:LDFLAGS:-q64 -O5 -qipa=missing=isolated -L../SRC_lib
current:DPARALLEL:'-WF,-DParallel'
current:R_LIBS:-lessl -llapack_lapw
current:RP_LIBS:-L/apps/scalapack/lib -lscalapack_pwr4_64
/apps/scalapack/lib/blacs_MPI-pwr4_64-0.a
/apps/scalapack/lib/blacsF77init_MPI-pwr4_64-0.a

Hope it helps

Roberto


------------------------------------------
Roberto Iglesias
High Temperature Materials Project
Laboratory for Materials Behaviour
Nuclear Energy and Safety Department
OHLD/013
PAUL SCHERRER INSTITUT
CH-5232 Villigen PSI
phone: +41 (0)56 310 54 81
fax:   +41 (0)56 310 35 65
e-mail: roberto.iglesias at psi.ch
Internet: www.psi.ch
-----------------------------------------



Torsten Andersen wrote:
> Hello Ricardo,
> 
> try this in the lapack_lapw Makefile:
> 
> FOPT = -q64 -O3 -qcache=auto -qhot -qtune=auto -qarch=power5 -qstrict
> 
> I think that the -qstrict is the most important option here.
> 
> You can safely remove the -bmaxdata option, since it is useless anyway 
> in 64-bit mode.
> 
> Best regards,
> Torsten Andersen.
> 
> 
> Ricardo Faccio wrote:
>> Dear Wien users:
>> I am trying to install Wien2k04_06 in a IBM power5, AIX 5.3 with the 
>> following software:
>> -ESSL4
>> -XLF90
>> -XLC
>> I follow the instructions on the web 
>> (http://www.wien2k.at/reg_user/faq/ibm.html) including some  
>> recomendations of siteconfig_lapw.
>> The settings were:
>> # Compiler options are: -q64 -O5 -qarch=power5
>> # Linker options are: -q64 -O5 -qipa=missing=isolated -L../SRC_lib 
>> -bmaxdata:0x80000000
>> # Flags: -lessl -llapack
>> After this I had too many errors
>> Then I tried to edit the makefile of the lapack library separatly in 
>> order to be compiled with the following settings:
>>
>> ###############################################################################
>>
>> FC= xlf90
>>
>> FOPT = -q64 -O5 -qarch=power5 /  FOPT = -O5 -qarch=power5 / FOPT = -O3 
>> -qarch=power5
>>
>> GEN =
>>
>> DESTDIR = ../
>>
>> LIBNAME = liblapack_lapw.a
>>
>> ###############################################################################
>>
>> and I had to many errors again. I guess the problem is related with the 
>> lapack library (that can't be compiled in -q64 and can be 
>> ¿¿succesfully?? compiled with the -q32 option); beacause after this all 
>> the routines such as lapw1, lapw2, etc that uses lapack could not be 
>> compiled.
>> Any advice?
>> Thanks in advance
>> Ricardo
>> -------------------------------------------------------------------------
>> -----   Ing. Quím. Ricardo Faccio
>>  
>> Mail: Cryssmat-Lab., Cátedra de Física, DETEMA
>> Facultad de Química, Universidad de la República
>>      Av. Gral. Flores 2124, C.C. 1157
>>      C.P. 11800, Montevideo, Uruguay.
>> E-mail: rfaccio at fq.edu.uy <mailto:rfaccio at fq.edu.uy>
>> Phone: 598 2 9241860 Int. 109
>>            598 2 9290705
>> Fax:    598 2 9241906
>> Web:  http://cryssmat.fq.edu.uy/ricardo/ricardo.htm
>>
>>
>> ------------------------------------------------------------------------
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>