[Pw_forum] compile error on Xeon with intel fortran

Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu
Sat Apr 5 15:19:16 CEST 2008


On Sat, 5 Apr 2008, lan haiping wrote:

IH> Dear Min,
IH>   Some one else told me before that ifort v10 is not a stable compiler..

this is not correct. newer patchlevels of 10.1 are quite 
reliable. 10.1.012 should be ok. the original 10.0 release
was bad, like almost all intel x.0 releases.

cheers,
  axel.

IH> You can try to install ifort v9.1 with some mkl math lib.
IH> Best,
IH> 
IH> On Sat, Apr 5, 2008 at 10:32 AM, Min Seung Kyu <min0220 at postech.ac.kr>
IH> wrote:
IH> 
IH> > Dear users and developers,
IH> >
IH> > I compiled espresso3.2.3 on Xeon machine with Intel fortran 10.1.012 and
IH> >
IH> > MKL 10.0.1.014 version. Whenever I run pw.x, however, I get segementation
IH> >
IH> > fault message at the beginning.
IH> >
IH> >      Program PWSCF     v.3.2.3  starts ...
IH> >      Today is  4Apr2008 at 21:35:35
IH> >
IH> >      Ultrasoft (Vanderbilt) Pseudopotentials
IH> >
IH> >      Current dimensions of program pwscf are:
IH> >
IH> >      ntypx = 10   npk = 40000  lmax =  3
IH> >      nchix =  6  ndmx =  2000  nbrx = 14  nqfx =  8
IH> > forrtl: severe (174): SIGSEGV, segmentation fault occurred
IH> > Image              PC                Routine            Line        Source
IH> > pw.x               0000000000DF55B7  Unknown               Unknown
IH> >  Unknown
IH> > libpthread.so.0    0000003A0550C4F0  Unknown               Unknown
IH> >  Unknown
IH> > pw.x               0000000000DF5593  Unknown               Unknown
IH> >  Unknown
IH> > libpthread.so.0    0000003A0550C4F0  Unknown               Unknown
IH> >  Unknown
IH> >
IH> > My maks.sys file contains
IH> >
IH> > BLAS_LIBS      = -L/opt/intel/mkl/10.0.1.014/lib/em64t -lmkl_em64t
IH> > -lmkl_core -lguide -lpthread
IH> >
IH> > Please let me know what I should do.
IH> >
IH> > Sincerely, Min.
IH> >
IH> >
IH> >
IH> >
IH> > _______________________________________________
IH> > Pw_forum mailing list
IH> > Pw_forum at pwscf.org
IH> > http://www.democritos.it/mailman/listinfo/pw_forum
IH> >
IH> 
IH> 
IH> 
IH> 

-- 
=======================================================================
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
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