[Wien] Still problem with CLMSUM

[Gerhard H Fecher]

Thanks L.D.

I will put that in my next compiling description.
Thats just the way like I try the different compiler options in different 
program parts.

Ciao
Gerhard


Am Mittwoch, 22. März 2006 18:52 schrieb L. D. Marks:
> What might well be happening is that there is an array going out of bounds 
> and NOT producing an error but producing garbage because it is 
> overwriting something in memory. This happens, and does not always produce 
> an error. Rather than recompiling everything from siteconfig I suggest that 
you:
> 
> a) Go to wherever you have SRC_lapw0 since this appears to be the culprit.
> 
> b) Edit (by hand) the file called "Makefile" and add at the front of the 
> line that starts with "FOPT = " the options "-ftrapuv -C -traceback "
> 
> c) In this directory type
>  	make ; cp lapw0 ../
> 
> d) Run your test again, just "x lapw0" from what you are saying. It will 
> run a lot slower (2-3 times) but might find something.
> 
> On Wed, 22 Mar 2006, Michael Gurnett wrote:
> 
> > yes. In my case it was for GMAX larger than about 16. However, Peter ran
> > the structure using a GMAX of 20 and 1,400,000 planewaves. This was using
> > ifort9 + mkl8 on a Suse 9.3 P4emt system with the default
> > options of siteconfig (latest version06). As I understand from Gerhard,
> > the default options in siteconfig are not 100% correct (libcxa not 
required).
> >
> > Still it compiled correctly, so atleast now I know that the issue with
> > d1mach.c is not a problem, and I'll just try again to see if it can handle
> > the larger GMAX values.
> >
> >
> > Michael
> >
> >
> >
> > -----Original Message-----
> > From: "L. D. Marks" <L-marks at northwestern.edu>
> > To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> > Date: Wed, 22 Mar 2006 08:58:41 -0600 (CST)
> > Subject: RE: [Wien] Still problem with CLMSUM
> >
> >> I seem to remember that the problem only occurred when GMAX >
> >> "something".
> >> Was this the case or not.
> >>
> >> On Wed, 22 Mar 2006, Michael Gurnett wrote:
> >>
> >>> Peter has now tested my struct file (ha had previously tested one
> >> from
> >>> Kevin). In both cases, he found no problems. Although there were no
> >> errors
> >>> during the compilations (atleast not mentioned in the summary), I
> >> have
> >>> tried to recompile the code incase the problem arose due to
> >> optimisation
> >>> or other.
> >>>
> >>> I have pretty much used the options specified by Gerhard H. Fecher's
> >> notes
> >>> (brilliant work by the way and should I feel be included in the
> >> wien2k
> >>> manual as an appendix).
> >>>
> >>> ----------------------
> >>>
> >>> current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -xP
> >>>
> >>> current:LDFLAGS:-L/opt/intel/fce/9.0/lib
> >> -L/opt/intel/mkl/8.0.1/lib/em64t
> >>> -i-static -lguide_stats -lsvml -lpthread
> >>> current:DPARALLEL:'-DParallel'
> >>> current:R_LIBS:-L/opt/intel/mkl/8.0.1/lib/em64t -lmkl_lapack64
> >> -lmkl_em64t
> >>> -lguide -lguide_stats -lpthread
> >>>
> >>> -----------------------
> >>>
> >>> However, I did find one problem that occurs in the compilation (a
> >>> warning). The message is "incompatible implicit declaration" this
> >> refers
> >>> to exit in the d1mach.c file. Could these maybe be the cause of the
> >>> problems that I have been seeing.
> >>>
> >>> Michael
> >>>
> >>>
> >>> _______________________________________________
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> >>>
> >>
> >> Note: if you have an old email address for me, please note that "nwu"
> >> has
> >> been changed to "northwestern".
> >> -----------------------------------------------
> >> Laurence Marks
> >> Department of Materials Science and Engineering
> >> MSE Rm 2036 Cook Hall
> >> 2220 N Campus Drive
> >> Northwestern University
> >> Evanston, IL 60201, USA
> >> Tel: (847) 491-3996 Fax: (847) 491-7820
> >> email: L-marks at northwestern dot edu
> >> http://www.numis.northwestern.edu
> >> -----------------------------------------------
> >>
> >> _______________________________________________
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> >
> >
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> >
> 
> Note: if you have an old email address for me, please note that "nwu" has
> been changed to "northwestern".
> -----------------------------------------------
> Laurence Marks
> Department of Materials Science and Engineering
> MSE Rm 2036 Cook Hall
> 2220 N Campus Drive
> Northwestern University
> Evanston, IL 60201, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> email: L-marks at northwestern dot edu
> http://www.numis.northwestern.edu
> -----------------------------------------------
> 
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