[Wien] clmsum - still no luck

L. D. Marks L-marks at northwestern.edu
Sat Apr 22 14:56:19 CEST 2006


Some suggestions, probably useless:
1) compile with -ftrapuv -fce0 -ftraceback. These should not slow things 
down, but may reveal subtle coding problems that get hidden.
2) Try both modes -cxxlib-gcc and -cxxlib-icc
3) Test if you get the same problems using lapw0_mpi as with lapw0. Does 
it also occur when running lapw0 in single remote mode?
4) Add -check to the compilation options, and rerun (being patient as it 
will take somewhat longer).
5) Try adding -align -pad. I see no reason why these should have any 
effect, but....
6) Check that you don't have the asleep NFS problem. This one is like a 
trojan in that it does not obviously show itself.

On Sat, 22 Apr 2006, Michael Gurnett wrote:

> I've been trying now for some time to get this problem of the zero
> columns to be fixed, without any luck
>
> I've tried the default setting as you recommended Peter, but I have to
> remove the static-libcxa switch as that would not compile (but this is
> not required if I understand Gerhard correctly). So with all other
> setting exactly as default I compile using fce 9.0 and mkl 8.0.1 (have
> tried both cc and icc for the c compiler) on fedora 4. This compiles
> fine but the problem is their. In fact for every type of compile I have
> done that has compiled with zero errors, the problem has been the same.
> I've just downloaded the wien2k executables to see what they do, but I'm
> guessing that these are compiled for 32 bit and I know they are going to
> be slow if they work.
>
> Kevin, did you ever get your code to recompile and work properly?
>
> Really hope someone can help me with this
>
> 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
2225 N Campus Drive
Northwestern University
Evanston, IL 60208, 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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