<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN">
<HTML><HEAD>
<META http-equiv=Content-Type content="text/html; charset=us-ascii">
<META content="MSHTML 6.00.2900.3243" name=GENERATOR></HEAD>
<BODY>
<DIV dir=ltr align=left><SPAN class=520310110-31012008><FONT face=Arial
color=#0000ff size=2>Dear Bill,</FONT></SPAN></DIV>
<DIV dir=ltr align=left><SPAN class=520310110-31012008><FONT face=Arial
color=#0000ff size=2></FONT></SPAN> </DIV>
<DIV dir=ltr align=left><SPAN class=520310110-31012008><FONT face=Arial
color=#0000ff size=2>First stupid suggestion, did you try to see if
libmkl_lapack64.so is in <FONT face="Times New Roman" color=#000000
size=3>/opt/intel/mkl/Current/Libraries/em64t (probably it is
:))).</FONT></FONT></SPAN></DIV>
<DIV dir=ltr align=left><SPAN class=520310110-31012008>I would try to play with
compile sentence which you have in the compile.msg, for example you can link the
library directly:</SPAN></DIV>
<DIV dir=ltr align=left><SPAN class=520310110-31012008><FONT face=Arial
color=#0000ff size=2></FONT></SPAN> </DIV>
<DIV>ifort -o ./aimc moduls.o charge.o gbass.o gener.o aim.o
main1.o outin.o radial.o reduc.o rsur</DIV>
<DIV>.o rotat.o rotate.o rotato.o rotdef1.o sternb.o sum.o
vnorm.o ylm.o dtylm.o sumd.o grhosphe.</DIV>
<DIV>o dradial.o gen_change.o rotat_back.o rotate_back.o
gen_brav.o interst.o sphere.o init.o ones</DIV>
<DIV>tep.o rsurf.o gauleg.o critic.o surf.o integrho.o
follow.o interp.o cputim.o jacobi.o ludcmp.o sp</DIV>
<DIV>line.o doit.o dtdtylm.o sumdd.o hrhosphe.o matprod.o readcs.o dipole.o
rho.o cossin.o intlib.o davi</DIV>
<DIV>nt.o d1mach.o sortag.o follown.o SplineFit.o CheckCSpline.o -FR -mp1
-w -prec_div -pc80 -pad -ip -D</DIV>
<DIV>INTEL_VML -L/opt/intel/mkl/Current/Libraries/em64t<SPAN
class=520310110-31012008>
<STRONG>-l(or)-L/opt/intel/mkl/Current/Libraries/em64t/</STRONG></SPAN><SPAN
class=520310110-31012008><STRONG>libmkl_lapack64.so</STRONG></SPAN> -lpthread
-lmkl_em64t -lguide -lvm</DIV>
<DIV>l -pthread</DIV>
<DIV><FONT face=Arial color=#0000ff size=2></FONT> </DIV>
<DIV><SPAN class=520310110-31012008></SPAN>a<SPAN class=520310110-31012008>nd
see what compiler or loader returns as error, otherwise I think your compile
sentence looks fine, the warning :</SPAN></DIV><SPAN class=520310110-31012008>
<DIV>ipo: warning #11023: file format not recognized for cputim.o</DIV>
<DIV>ipo: warning #11023: file format not recognized for d1mach.o</DIV>
<DIV></SPAN><SPAN class=520310110-31012008></SPAN>P<SPAN
class=520310110-31012008>robably comes from that you have compiled cputim and
d1mach with c compiler and the ifort don't know how to link them,</SPAN></DIV>
<DIV><SPAN class=520310110-31012008></SPAN><SPAN
class=520310110-31012008></SPAN>l<SPAN class=520310110-31012008>ook at manual of
ifort for your platform and see how to link c object-files.</SPAN></DIV>
<DIV><SPAN class=520310110-31012008><FONT face=Arial color=#0000ff
size=2></FONT></SPAN> </DIV>
<DIV><SPAN class=520310110-31012008><FONT face=Arial color=#0000ff
size=2>Regards,</FONT></SPAN></DIV>
<DIV><SPAN class=520310110-31012008><FONT face=Arial color=#0000ff
size=2>Toni</FONT></SPAN></DIV>
<DIV><BR></DIV>
<DIV class=OutlookMessageHeader lang=en-us dir=ltr align=left>
<HR tabIndex=-1>
<FONT face=Tahoma size=2><B>From:</B> wien-bounces@zeus.theochem.tuwien.ac.at
[mailto:wien-bounces@zeus.theochem.tuwien.ac.at] <B>On Behalf Of </B>A
Bill<BR><B>Sent:</B> Thursday, January 31, 2008 3:50 AM<BR><B>To:</B>
wien@zeus.theochem.tuwien.ac.at<BR><B>Subject:</B> [Wien] Installing Wien2k_08
on Mac: library not found for-lmkl_lapack64<BR></FONT><BR></DIV>
<DIV></DIV>
<DIV class=gmail_quote>Dear Wien users,
<DIV><BR></DIV>
<DIV>I am trying to install Wien2k 08 for the first time on my MacPro 8-core but
encounter a problem with the library for lmkl_lapack64. Here is what I did:
(sorry if there is too much information...)</DIV>
<DIV><BR></DIV>
<DIV>1) The formatting of my disk is case-sensitive and so I do not encounter
the problems others had with that issue.</DIV>
<DIV><BR></DIV>
<DIV>2) I use the latest ifort compiler + mkl 10.1.007.</DIV>
<DIV><BR></DIV>
<DIV>3) I therefore chose option J "Linux Intel ifort 9 or 10 " and had to
specify that mkl is not under /opt/intel but /Library/Framework and had to
replace 'find /opt -name 'libmkl*' with 'find -L /opt -name 'libmkl*'</DIV>
<DIV><BR></DIV>
<DIV>4) I changed the flag as follows:</DIV>
<DIV>
<DIV>Recommended options for system linuxif8 are:</DIV>
<DIV> Compiler options: -FR -mp1
-w -prec_div -pc80 -pad -ip -DINTEL_VML</DIV>
<DIV> Linker Flags:
$(FOPT) -L/opt/intel/mkl/9.0/lib/em64t -lpthread</DIV>
<DIV> Preprocessor flags:
'-DParallel'</DIV>
<DIV> R_LIB (LAPACK+BLAS): -lmkl_lapack64
-lmkl_em64t -lguide -lvml -pthread</DIV>
<DIV><BR></DIV>
<DIV>Current settings:</DIV>
<DIV> O Compiler options: -FR -mp1 -w
-prec_div -pc80 -pad -ip -DINTEL_VML</DIV>
<DIV> L Linker Flags:
$(FOPT) -L/opt/intel/mkl/Current/Libraries/em64t -lpthread</DIV>
<DIV> P Preprocessor flags '-DParallel'</DIV>
<DIV> R R_LIB (LAPACK+BLAS): -lmkl_lapack64
-lmkl_em64t -lguide -lvml -pthread</DIV>
<DIV> </DIV>
<DIV>5) It is not a shared memory, no MPI, no Scalapack (I don't quite
understand that one...)</DIV>
<DIV><BR></DIV>
<DIV>6) I didn't change the parameters</DIV>
<DIV><BR></DIV>
<DIV>7) I try compiling all programs. That's where I get into trouble...</DIV>
<DIV><BR></DIV>
<DIV>compile.msg in all SRC_* have an error related to the library for
-lmkl_lapack64 not found. For example, the compile.msg in SRC_aim has the
following last lines:</DIV>
<DIV><BR></DIV>
<DIV>
<DIV>ifort -o ./aimc moduls.o charge.o gbass.o gener.o aim.o
main1.o outin.o radial.o reduc.o rsur</DIV>
<DIV>.o rotat.o rotate.o rotato.o rotdef1.o sternb.o sum.o
vnorm.o ylm.o dtylm.o sumd.o grhosphe.</DIV>
<DIV>o dradial.o gen_change.o rotat_back.o rotate_back.o
gen_brav.o interst.o sphere.o init.o ones</DIV>
<DIV>tep.o rsurf.o gauleg.o critic.o surf.o integrho.o
follow.o interp.o cputim.o jacobi.o ludcmp.o sp</DIV>
<DIV>line.o doit.o dtdtylm.o sumdd.o hrhosphe.o matprod.o readcs.o dipole.o
rho.o cossin.o intlib.o davi</DIV>
<DIV>nt.o d1mach.o sortag.o follown.o SplineFit.o CheckCSpline.o -FR -mp1
-w -prec_div -pc80 -pad -ip -D</DIV>
<DIV>INTEL_VML -L/opt/intel/mkl/Current/Libraries/em64t -lpthread -lmkl_lapack64
-lmkl_em64t -lguide -lvm</DIV>
<DIV>l -pthread</DIV>
<DIV>ipo: warning #11023: file format not recognized for cputim.o</DIV>
<DIV>ipo: warning #11023: file format not recognized for d1mach.o</DIV>
<DIV>ld: library not found for -lmkl_lapack64</DIV>
<DIV>make[1]: *** [aimc] Error 1</DIV>
<DIV>make: *** [complex] Error 2</DIV>
<DIV><BR></DIV>
<DIV><BR></DIV>
<DIV>Any help on the question is appreciated.</DIV>
<DIV><BR></DIV>
<DIV>Regards,</DIV>
<DIV>Andreas</DIV>
<DIV><BR></DIV>
<DIV><BR></DIV>
<DIV><BR></DIV>
<DIV><BR></DIV></DIV></DIV></DIV><BR></BODY></HTML>