Re: amber-developers: pgf90 and netcdf

From: David A. Case <case.scripps.edu>
Date: Fri, 31 Mar 2006 23:16:02 -0700

On Fri, Mar 31, 2006, Scott Brozell wrote:
>
> exe/README does not contain all the executables.

I don't think this file shows up in the release.

> Several tests are hanging.
> The fix is to turn down the optimization of src/lapack/dlamch.f
> I changed line 42 of src/lapack/Makefile to
> $(FC) -c -o $. _$<

Sounds like a better idea is to remove the "-O" from the fflags variable
for pgf90 in configure. Does pgf90 have a "-O0" option?

It is well known that dlach.f should not be optimized, and that was the
*intent* of the special rule in the Makefile.

>
> ./configure -bintraj pgf90
> pgf90 6.0-8 32-bit target on x86 Linux
> Linux piv-login1 2.4.24-pre1 #6 SMP Wed May 19 09:47:10 EDT 2004 i686
i686 i386 GNU/Linux
> GNU gdb Red Hat Linux (6.3.0.0-1.62rh)
>
>
>
> 2. cd tgtmd/change_target; ./Run.tgtmd
> 3. cd tgtmd/change_target.rms; ./Run.tgtmd
> 4. cd tgtmd/conserve_ene; ./Run.tgtmd
> 5. cd tgtmd/minimize; ./Run.tgtmin
> 6. cd tgtmd/PME; ./Run.tgtPME
> 7. cd trajene; ./Run.trajene
> 9. cd neb_gb; ./Run.neb.sa
>

Am I right in reading that the above are the remaining failures (mostly
"hangs")?

...thanks for the update...dave
Received on Wed Apr 05 2006 - 23:49:31 PDT
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