<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN">
<HTML><HEAD>
<META http-equiv=Content-Type content="text/html; charset=iso-8859-1">
<META content="MSHTML 6.00.2900.2963" name=GENERATOR>
<STYLE></STYLE>
</HEAD>
<BODY>
<DIV>Dear Torsten and Roberto <BR>Thanks for your answers, but I
tried the compilation and I have obtained errors again . <BR>This is what
we did in order to obtain the smallest amount of errors: <BR>a) make the
liblapack and libblas libraries by hand, with the following options:
<BR><FONT
color=#0000ff>#------------------------------------------------------------------------------
<BR>FC = xlf90 <BR>FOPT = -q64 -O3 -qcache=auto
-qhot -qtune=auto -qarch=power5 -qstrict <BR>FGEN
= <BR>DESTDIR = ../liblapack_lapw.a (Similar options were used for
making libblas)
<BR>#------------------------------------------------------------------------------
<BR></FONT>b) After this we need to execute by hand: <BR><FONT
color=#0000ff>ar -rv -X32_64 ../liblapack_lapw.a lapack_lapw1.o zhpev.o zhpevx.o
zladiv.o zlazro.o dlap <BR>y2.o dlapy3.o</FONT>, where it is necessary to
include the <STRONG>-X32_64</STRONG> <BR>The problem seems to be
related with 32 bit versus 64 bit *.o files that need to be included in a common
library. Am I right ? <BR>After this almost all the main programs were
successfully compiled.</DIV>
<DIV>The final output-file after the compilation is attached to this
email.</DIV>
<DIV>For example, in the case of SRC_aim, the compile.msg is:</DIV>
<DIV><FONT color=#0000ff>1586-119 (U) The 32-bit file "d1mach.o" is being linked
in 64-bit mode, or vice versa.<BR>make: 1254-004 The error code from the last
command is 1.</FONT><BR>Once again the problem is related with 32bit vs 64bit
generated files.</DIV>
<DIV>Any advice?</DIV>
<DIV>Thank you very much (again!)</DIV>
<DIV>Regards</DIV>
<DIV>Ricardo</DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV>-------------------------------------------------------------------------<BR>-----
Ing. Quím. Ricardo Faccio</DIV>
<DIV> </DIV>
<DIV>Mail: Cryssmat-Lab., Cátedra de Física, DETEMA<BR>Facultad de Química,
Universidad de la República<BR> Av. Gral. Flores 2124,
C.C. 1157<BR> C.P. 11800, Montevideo,
Uruguay.<BR>E-mail: <A
href="mailto:rfaccio@fq.edu.uy">rfaccio@fq.edu.uy</A><BR>Phone: 598 2 9241860
Int. 109<BR> 598 2
9290705<BR>Fax: 598 2 9241906<BR>Web: <A
href="http://cryssmat.fq.edu.uy/ricardo/ricardo.htm">http://cryssmat.fq.edu.uy/ricardo/ricardo.htm</A></DIV>
<DIV>----- Original Message -----
<DIV>From: "Roberto Iglesias" <<A
href="mailto:roberto.iglesias@psi.ch">roberto.iglesias@psi.ch</A>></DIV>
<DIV>To: "A Mailing list for WIEN2k users" <<A
href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</A>></DIV>
<DIV>Sent: Thursday, September 14, 2006 3:49 AM</DIV>
<DIV>Subject: Re: [Wien] compilation problem IBM p5 AIX5.3</DIV></DIV>
<DIV><BR></DIV>> Hello Ricardo<BR>> <BR>> To add on what Torsten
wrote, we had some problems with compiling in an IBMSP4 machine and the
responsible <BR>> finally used these settings:<BR>> <BR>>
current:FOPT:-q64 -O5 -qarch=pwr4 -qtune=pwr4 -qcache=auto
-qstrict<BR>> current:FPOPT:-q64 -O5 -qarch=pwr4 -qtune=pwr4 -qcache=auto
-qstrict<BR>> current:LDFLAGS:-q64 -O5 -qipa=missing=isolated
-L../SRC_lib<BR>> current:DPARALLEL:'-WF,-DParallel'<BR>>
current:R_LIBS:-lessl -llapack_lapw<BR>>
current:RP_LIBS:-L/apps/scalapack/lib -lscalapack_pwr4_64<BR>>
/apps/scalapack/lib/blacs_MPI-pwr4_64-0.a<BR>>
/apps/scalapack/lib/blacsF77init_MPI-pwr4_64-0.a<BR>> <BR>> Hope it
helps<BR>> <BR>> Roberto<BR>> <BR>> <BR>>
------------------------------------------<BR>> Roberto Iglesias<BR>> High
Temperature Materials Project<BR>> Laboratory for Materials Behaviour<BR>>
Nuclear Energy and Safety Department<BR>> OHLD/013<BR>> PAUL SCHERRER
INSTITUT<BR>> CH-5232 Villigen PSI<BR>> phone: +41 (0)56 310 54 81<BR>>
fax: +41 (0)56 310 35 65<BR>> e-mail: <A
href="mailto:roberto.iglesias@psi.ch">roberto.iglesias@psi.ch</A><BR>>
Internet: <A href="http://www.psi.ch">www.psi.ch</A><BR>>
-----------------------------------------<BR>> <BR>> <BR>> <BR>>
Torsten Andersen wrote:<BR>>> Hello Ricardo,<BR>>> <BR>>> try
this in the lapack_lapw Makefile:<BR>>> <BR>>> FOPT = -q64 -O3
-qcache=auto -qhot -qtune=auto -qarch=power5 -qstrict<BR>>> <BR>>> I
think that the -qstrict is the most important option here.<BR>>>
<BR>>> You can safely remove the -bmaxdata option, since it is useless
anyway <BR>>> in 64-bit mode.<BR>>> <BR>>> Best
regards,<BR>>> Torsten Andersen.<BR>>> <BR>>> <BR>>>
Ricardo Faccio wrote:<BR>>>> Dear Wien users:<BR>>>> I am
trying to install Wien2k04_06 in a IBM power5, AIX 5.3 with the <BR>>>>
following software:<BR>>>> -ESSL4<BR>>>>
-XLF90<BR>>>> -XLC<BR>>>> I follow the instructions on the web
<BR>>>> (<A
href="http://www.wien2k.at/reg_user/faq/ibm.html">http://www.wien2k.at/reg_user/faq/ibm.html</A>)
including some <BR>>>> recomendations of
siteconfig_lapw.<BR>>>> The settings were:<BR>>>> # Compiler
options are: -q64 -O5 -qarch=power5<BR>>>> # Linker options are: -q64
-O5 -qipa=missing=isolated -L../SRC_lib <BR>>>>
-bmaxdata:0x80000000<BR>>>> # Flags: -lessl -llapack<BR>>>>
After this I had too many errors<BR>>>> Then I tried to edit the
makefile of the lapack library separatly in <BR>>>> order to be
compiled with the following settings:<BR>>>><BR>>>>
###############################################################################<BR>>>><BR>>>>
FC= xlf90<BR>>>><BR>>>> FOPT = -q64 -O5 -qarch=power5 /
FOPT = -O5 -qarch=power5 / FOPT = -O3 <BR>>>>
-qarch=power5<BR>>>><BR>>>> GEN
=<BR>>>><BR>>>> DESTDIR = ../<BR>>>><BR>>>>
LIBNAME = liblapack_lapw.a<BR>>>><BR>>>>
###############################################################################<BR>>>><BR>>>>
and I had to many errors again. I guess the problem is related with the
<BR>>>> lapack library (that can't be compiled in -q64 and can be
<BR>>>> ¿¿succesfully?? compiled with the -q32 option); beacause after
this all <BR>>>> the routines such as lapw1, lapw2, etc that uses
lapack could not be <BR>>>> compiled.<BR>>>> Any
advice?<BR>>>> Thanks in advance<BR>>>>
Ricardo<BR>>>>
-------------------------------------------------------------------------<BR>>>>
----- Ing. Quím. Ricardo Faccio<BR>>>>
<BR>>>> Mail: Cryssmat-Lab., Cátedra de Física, DETEMA<BR>>>>
Facultad de Química, Universidad de la
República<BR>>>> Av. Gral. Flores 2124,
C.C. 1157<BR>>>> C.P. 11800, Montevideo,
Uruguay.<BR>>>> E-mail: <A
href="mailto:rfaccio@fq.edu.uy">rfaccio@fq.edu.uy</A> <<A
href="mailto:rfaccio@fq.edu.uy">mailto:rfaccio@fq.edu.uy</A>><BR>>>>
Phone: 598 2 9241860 Int.
109<BR>>>>
598 2 9290705<BR>>>> Fax: 598 2
9241906<BR>>>> Web: <A
href="http://cryssmat.fq.edu.uy/ricardo/ricardo.htm">http://cryssmat.fq.edu.uy/ricardo/ricardo.htm</A><BR>>>><BR>>>><BR>>>>
------------------------------------------------------------------------<BR>>>><BR>>>>
_______________________________________________<BR>>>> Wien mailing
list<BR>>>> <A
href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</A><BR>>>>
<A
href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</A><BR>>>
<BR>> _______________________________________________<BR>> Wien mailing
list<BR>> <A
href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</A><BR>>
<A
href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</A><BR>></BODY></HTML>