[CPMD-list] Segmentation fault !(solved)

[Axel Kohlmeyer]

On Fri, 23 Mar 2007, A.yangthaisong wrote:

dear anucha,

thank you for getting back to us with the resolution.
i will take your config and add it to the cpmd distribution.
nevertheless i would recommend that you download/install
gfortran and ACML and do some comparisons on efficiency 
and correctness of the results.

the last release of CPMD also supports using fftw-2 (_not_
fftw-3!), so that actually the impact of gfortran being
a less well optimizing compiler can be minimized if not
even reversed wrt. what is shipped with absoft.

AY> Dear all,
AY> 

AY> Just get back to tell you that my problem is solved.  Thanks for
AY> helps and advices.  By the way, below is the part of my makefile.
AY> Note that axel is right but I have to to add '-s' in f95 command to
AY> compile. I don't know why but it works.

it would be nice if you could look this up in the documentation
or in the manpage. it might be, that it forces all variables to
be static or so...

cheers,
   axel.


AY> 
AY> Warmest regards,
AY> Anucha
AY> 
AY> #--------------- Default Configuration for PC-ABSOFT ---------------
AY> SRC  = .
AY> DEST = .
AY> BIN  = .
AY> FFLAGS =
AY> #LFLAGS = -L/opt/absoft10.0/lib64 -llapack -lblas -lU77 -lm -lf2c
AY> LFLAGS = -L/opt/absoft10.0/lib64 -llapack -lblas -lm -lf2c -lU77
AY> CFLAGS =
AY> CPP = /lib/cpp -P -C -traditional
AY> CPPFLAGS = -D__NOINT8  -DPOINTER8  -D__Linux -D__ABSOFT -DFFT_DEFAULT
AY> NOOPT_FLAG =
AY> CC = cc -O
AY> FC = f95 -c  -s -B108  -YEXT_NAMES=LCS -O
AY> #LD = f95 -O -X-Bstatic
AY> LD = f95 -O -static
AY> AR = ar
AY> #----------------------------------------------------------------------------
AY> # Personal Configuration
AY> #----------------------------------------------------------------------------
AY> #----------------------------------------------------------------------------
AY> # End of Personal Configuration
AY> #----------------------------------------------------------------------------
AY> CFGDEST = .
AY> CFGMACH = PC-ABSOFT
AY> CFGQMMM =
AY> 
AY> _______________________________________________
AY> CPMD-list mailing list
AY> CPMD-list at cpmd.org
AY> http://cpmd.org/mailman/listinfo/cpmd-list
AY> 

-- 
=======================================================================
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.