[Wien] Installing Wien2k_08 on Mac: library not found for-lmkl_lapack64

[M D Jones]

I recently helped someone out with a Mac (Tiger,core2) install, although
I tend to use Linux for most of my Wien2k calculations.  Below are
the compiler/linker flags that I used for ifort 10.1 and MKL 10.0:

FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
LDFLAGS:$(FOPT) -L/Library/Frameworks/Intel_MKL.framework/Libraries/em64t 
DPARALLEL:'-DParallel'
R_LIBS:-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lguide -lpthread

I came up with the new MKL library options after perusing their
user manual - it appears to me that intel is changing the library
structure with the latest MKL releases.

Note that lapw2 needs a lower optimization level to run properly
for ifort 10.1, as reported earlier on the mailing list - I 
found that using -g stabilized it.  Another odd tidbit - I had to
change x_lapw line 183 from:

set cmplx=`cut $file.struct -b -6|\

to:

set cmplx=`cut -b -6 $file.struct|\

otherwise the Mac would complain about the cut option syntax.
Hope this helps you out,

Matt

  On Thu, 31 
Jan 2008, Ivas  Toni wrote:

> Dear Bill,
>
> First stupid suggestion, did you try to see if libmkl_lapack64.so is in
> /opt/intel/mkl/Current/Libraries/em64t (probably it is :))).
> I would try to play with compile sentence which you have in the
> compile.msg, for example you can link the library directly:
>
> ifort -o ./aimc moduls.o charge.o  gbass.o  gener.o  aim.o main1.o
> outin.o  radial.o  reduc.o  rsur
> .o rotat.o  rotate.o  rotato.o  rotdef1.o sternb.o sum.o  vnorm.o  ylm.o
> dtylm.o  sumd.o  grhosphe.
> o dradial.o  gen_change.o  rotat_back.o  rotate_back.o gen_brav.o
> interst.o  sphere.o  init.o  ones
> tep.o rsurf.o  gauleg.o  critic.o  surf.o integrho.o follow.o interp.o
> cputim.o jacobi.o ludcmp.o sp
> line.o doit.o dtdtylm.o sumdd.o hrhosphe.o matprod.o readcs.o dipole.o
> rho.o cossin.o  intlib.o davi
> nt.o d1mach.o sortag.o follown.o SplineFit.o CheckCSpline.o  -FR -mp1 -w
> -prec_div -pc80 -pad -ip -D
> INTEL_VML -L/opt/intel/mkl/Current/Libraries/em64t
> -l(or)-L/opt/intel/mkl/Current/Libraries/em64t/libmkl_lapack64.so
> -lpthread -lmkl_em64t -lguide -lvm
> l -pthread
>
> and see what compiler or loader returns as error, otherwise I think your
> compile sentence looks fine, the warning :
> ipo: warning #11023: file format not recognized for cputim.o
> ipo: warning #11023: file format not recognized for d1mach.o
> Probably comes from that you have compiled cputim and d1mach with c
> compiler and the ifort don't know how to link them,
> look at manual of ifort for your platform and see how to link c
> object-files.
>
> Regards,
> Toni
>
> ________________________________
>
> From: wien-bounces at zeus.theochem.tuwien.ac.at
> [mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of A Bill
> Sent: Thursday, January 31, 2008 3:50 AM
> To: wien at zeus.theochem.tuwien.ac.at
> Subject: [Wien] Installing Wien2k_08 on Mac: library not found
> for-lmkl_lapack64
>
>
> Dear Wien users,
>
> 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...)
>
> 1) The formatting of my disk is case-sensitive and so I do not encounter
> the problems others had with that issue.
>
> 2) I use the latest ifort compiler + mkl 10.1.007.
>
> 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*'
>
> 4) I changed the flag as follows:
> Recommended options for system linuxif8 are:
>     Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip
> -DINTEL_VML
>     Linker Flags:            $(FOPT) -L/opt/intel/mkl/9.0/lib/em64t
> -lpthread
>     Preprocessor flags:      '-DParallel'
>     R_LIB (LAPACK+BLAS):     -lmkl_lapack64 -lmkl_em64t -lguide -lvml
> -pthread
>
> Current settings:
> O   Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip
> -DINTEL_VML
> L   Linker Flags:            $(FOPT)
> -L/opt/intel/mkl/Current/Libraries/em64t -lpthread
> P   Preprocessor flags       '-DParallel'
> R   R_LIB (LAPACK+BLAS):     -lmkl_lapack64 -lmkl_em64t -lguide -lvml
> -pthread
>
> 5) It is not a shared memory, no MPI, no Scalapack (I don't quite
> understand that one...)
>
> 6) I didn't change the parameters
>
> 7) I try compiling all programs. That's where I get into trouble...
>
> 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:
>
> ifort -o ./aimc moduls.o charge.o  gbass.o  gener.o  aim.o main1.o
> outin.o  radial.o  reduc.o  rsur
> .o rotat.o  rotate.o  rotato.o  rotdef1.o sternb.o sum.o  vnorm.o  ylm.o
> dtylm.o  sumd.o  grhosphe.
> o dradial.o  gen_change.o  rotat_back.o  rotate_back.o gen_brav.o
> interst.o  sphere.o  init.o  ones
> tep.o rsurf.o  gauleg.o  critic.o  surf.o integrho.o follow.o interp.o
> cputim.o jacobi.o ludcmp.o sp
> line.o doit.o dtdtylm.o sumdd.o hrhosphe.o matprod.o readcs.o dipole.o
> rho.o cossin.o  intlib.o davi
> nt.o d1mach.o sortag.o follown.o SplineFit.o CheckCSpline.o  -FR -mp1 -w
> -prec_div -pc80 -pad -ip -D
> INTEL_VML -L/opt/intel/mkl/Current/Libraries/em64t -lpthread
> -lmkl_lapack64 -lmkl_em64t -lguide -lvm
> l -pthread
> ipo: warning #11023: file format not recognized for cputim.o
> ipo: warning #11023: file format not recognized for d1mach.o
> ld: library not found for -lmkl_lapack64
> make[1]: *** [aimc] Error 1
> make: *** [complex] Error 2
>
>
> Any help on the question is appreciated.
>
> Regards,
> Andreas
>
>
>
>
>
>