[Wien] Highly confusing bug -- any ideas? (LD_ASSUME_KERNEL)

[L. D. Marks]

As a follow up to my own email, has anyone used LD_ASSUME_KERNEL and got 
anywhere?

On Mon, 16 Jan 2006, L. D. Marks wrote:

> I have a bug which is crazy, albeit reproducable. For a relatively big
> calculation after a few scf cycles the clm's before mixer appear to become
> constant, i.e. are no longer changing at all. For instance, :FER becomes 
> constant. I think it is linked to the presence of some output files, since if 
> I do "save -d XYZ ; rm case.* ; restore -d XYZ" it goes away for a cycle or 
> two. This is not anything simple, my current thinking is some version 
> incompatibilities between the intel and system libraries, perhaps the C++ 
> I/O. I'd be interested if anyone has seen anything similar, or seen any 
> compatibility issues between Red; I'm having a hard time tracking down which 
> program (lapw1, mixer?) is the culprit.
>
> System details:
> Linux version 2.6.9-22.ELsmp (buildcentos at louisa.home.local) (gcc version 
> 3.4.4 20050721 (Red Hat 3.4.4-2)) #1 SMP Sat Oct 8 19:11:43 CDT 2005
> Rocks 4.1
> Intel(R) Fortran Compiler for 32-bit applications, Version 8.1    Build 
> 20050207Z Package ID: l_fc_pc_8.1.024
> Intel(R) Cluster Math Kernel Library v7.2.1
>
> ldd /opt2/Wien2k_ifc8/lapw1 gives
>        libguide.so => /opt2/intel_fc_81/lib/libguide.so (0x4000c000)
>        libpthread.so.0 => /lib/tls/libpthread.so.0 (0x00dbc000)
>        libm.so.6 => /lib/tls/libm.so.6 (0x00cb8000)
>        libdl.so.2 => /lib/libdl.so.2 (0x00cdd000)
>        libc.so.6 => /lib/tls/libc.so.6 (0x00b8c000)
>        /lib/ld-linux.so.2 (0x00b73000)
>
> (N.B., LD_LIBRARY_PATH is not being passed correctly via "at", so there is a 
> file /etc/ld.so.conf.d/ldm.so.conf with
> /opt2/intel_fc_81/lib
> /opt2/intel_cc_81/lib
> /opt2/intel/mkl721cluster/lib/32
> )M I)
> 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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>

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
-----------------------------------------------