Hi Thomas,
There known issues with ifort v8.0 and AMBER. Specifically a number of bugs
with this compiler. Can you get the latest 8.1 or 9.0 compiler from
Microsoft's site. This should then work.
All the best
Ross
/\
\/
|\oss Walker
| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be read every day, and should not be used for urgent or sensitive issues.
> -----Original Message-----
> From: owner-amber.scripps.edu
> [mailto:owner-amber.scripps.edu] On Behalf Of Thomas Steinbrecher
> Sent: Wednesday, April 26, 2006 02:23
> To: amber.scripps.edu
> Subject: RE: AMBER: Test Failure during amber9 serial compilation
>
> Hi,
>
> > By gcc 4.0.2 I assume you mean gfortran 4.0.2.
>
> sorry for being not precise enough, what I meant is, I have
> gcc 4.0.2 and
> ifc/ifort Version 8.0 installed. I configured for building with:
>
> ./configure -athlon ifort_ia32
>
> so that gcc and ifort are the compilers in config.h
>
> Run.nma and Run.nma_md pass the test.serial in my version.
>
> > My suggestion of what is the cause of the problem is
> gfortran. To date it
> > has been remarkably buggy and I don't think is mature
> enough yet to be
>
> I don't have gfortran installed (as far as I know), but maybe
> the problem
> comes from combining gcc and ifort.
>
> I'm not sure if its save to believe the problem is contained to
> Poisson-Boltzman-runs, I'll see if sander9 gives the same output as
> sander8 for some of my calculations.
>
> Regards,
>
> Thomas
> --------------------------------------------------------------
> ---------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Apr 30 2006 - 06:07:06 PDT
