[Pw_forum] RE : Re: problem compiling espresso with cmkl libraries

[halim said]

Dear Axel,
   
  Thanks lot for your quick response, I have edited the make.sys and added  '-lsvml' after '-lguide'
   
  and make clean before recompiling again, the error message is the same as without adding 
   '-lsvml' after '-lguide'.  The compiler that I use is intel fortran 9.0, is there other alternative way to success compiling the code.
   
  Your help and advice are very appreciate.
   
  PS: I have also linked the code by blas and lapack of esspresso.3.2 code but the errors messages appear also  for linking.
   
  Yours sincerely,
   
  Halim

Axel Kohlmeyer <akohlmey at cmm.chem.upenn.edu> a écrit :
  On Thu, 4 Oct 2007, halim said wrote:

HS> 
HS> Dear All,

dear halim,

HS> I am trying to compile espresso3.2 in serial version, with ifort
HS> compiler and cmkl library in cluster machine.
HS> When compiling pw alone as test I got the errors messages, could
HS> you please help me in order to solve my problem.

first off, thanks for providing a complete problem report
with all relevant information.

HS> First:
HS> 
HS> ./configure F90=ifort
HS> 
HS> Second
HS> 
HS> make pw
HS> 
HS> these the errors messages that I got, I do not know if the origin is from linking with cmkl library or related to some think else.
HS> 
HS> -----------------------------------------
HS> ../Modules/ptoolkit.o ../Modules/random_numbers.o ../Modules/read_cards.o 
HS> ../Modules/read_namelists.o ../Modules/read_upf.o ../Modules/read_uspp.o 
HS> ../Modules/recvec.o ../Modules/shmem_include.o ../Modules/splinelib.o 
HS> ../Modules/stick_base.o ../Modules/task_groups.o ../Modules/timestep.o 
HS> ../Modules/uspp.o ../Modules/version.o ../Modules/wavefunctions.o 
HS> ../Modules/wave_base.o ../Modules/xml_io_base.o libpw.a ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a -lmkl_lapack -L/opt/intel/cmkl/8.0/lib/em64t -lmkl_em64t -lguide -lpthread 
HS> 
HS> IPO Error: unresolved : __svml_cos2
HS> Referenced in clib.a(fft_stick.o)
HS> IPO Error: unresolved : __svml_sin2
HS> Referenced in clib.a(fft_stick.o)
HS> .../clib/clib.a(fft_stick.o)(.text+0x37044): In function `complete_twiddle':
HS> : undefined reference to `__svml_cos2'
HS> .../clib/clib.a(fft_stick.o)(.text+0x37062): In function `complete_twiddle':
HS> : undefined reference to `__svml_sin2'


this means, that your compiler optimized to use the SSE 
version of sine, cosine etc. those are in the SVML library.

just edit your make.sys file to append '-lsvml' after '-lguide'

cheers,
axel.

HS> -------------------------------------------------------------------
HS> 
HS> Your advices and help are appreciated.
HS> 
HS> Yours sincerely,
HS> 
HS> Halim Said,
HS> dept of Phys, Univ Soussa,
HS> Tunisi
HS> 
HS> 
HS> ---------------------------------
HS> Ne gardez plus qu'une seule adresse mail ! Copiez vos mails vers Yahoo! Mail 

-- 
=======================================================================
Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
Center for Molecular Modeling -- University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.

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