AMBER Archive (2004)

Subject: RE: AMBER: pmemd config.h request for athlon

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Fri Aug 13 2004 - 13:09:15 CDT

Dear Madalin,

Can you post me the config.h file you have used here. I suspect that you
have optimisation for pentium 4's set on the compile line (-xW) this will
compile for SSE2 extensions and while it creates a executable when you run
it on a machine that does not support the SSE2 extensions you typically see
the error message below.

If I can take a look at your config.h file I would know for sure.

Also, if you look yourself try removing any occurances of -xW (or -x
anything). You could also try -axW in place of -xW. This may fix it as it
will also include compatible code as well as the P4 optimised code.

All the best
Ross

/\
\/
|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk/ | PGP Key available on request |

> -----Original Message-----
> From: owner-amber_at_scripps.edu
> [mailto:owner-amber_at_scripps.edu] On Behalf Of Madalin Giambasu
> Sent: 13 August 2004 10:48
> To: amber_at_scripps.edu
> Subject: AMBER: pmemd config.h request for athlon
>
>
> Does anyone have a pmemd config.h for athlon ?
>
>
> I have installed ifort8 from l_fc_pc_8.0.046.tar.gz, compiled pmemd
> but i am still receiving errors:
>
> make test.pmemd
> export TESTsander='../../exe/pmemd'; cd 4096wat; ./Run.pure_wat
> forrtl: severe (168): Program Exception - illegal instruction
> Image PC Routine Line Source
> pmemd 08083C8F Unknown Unknown Unknown
> pmemd 42015574 Unknown Unknown Unknown
> pmemd 0804A391 Unknown Unknown Unknown
> ./Run.pure_wat: Program error
> make: *** [test.pmemd] Error 1
>
> Unfortunately I didnot have a config.h for athlon I have used
> that from
> the Amber site.
>
>
>
>
> -------------------------------------------------------
> Madalin G. Giambasu
> Junior Research Assistant
> Institute of Biochemistry of Romanian Academy of Science
> Splaiul Independentei 296, 060031, Bucharest 17, Romania
> Phone: (+4)021.223.90.69; FAX: (+4)021.223.90.68
>
> -------------------------------------------------------
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>
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