The message at the end of the AT15_Amber11.py script says this (After you
apply all bug fixes for AmberTools 1.5):
NOTE: Because PBSA has changed since Amber 11 was released, some
tests are known to fail and others are known to quit in error. These
can be safely ignored.
Tests that error: Tests in $AMBERHOME/test/sander_pbsa_frc
Run.argasp.min Run.dadt.min Run.dgdc.min
Run.lysasp.min Run.polyALA.min Run.polyAT.min
Run.argasp.min Run.dadt.min Run.dgdc.min
Run.lysasp.min Run.polyALA.min Run.polyAT.min
Run.argasp.min Run.dadt.min Run.dgdc.min
Run.lysasp.min Run.polyALA.min Run.polyAT.min
Tests that produce possible FAILUREs:
cd sander_pbsa_ipb2 && ./Run.110D.min
cd sander_pbsa_lpb && ./Run.lsolver.min (only some of them fail here)
cd sander_pbsa_tsr && ./Run.tsrb.min
cd sander_pbsa_decres && ./Run.pbsa_decres
mm_pbsa.pl tests 02, 03, and 05
If this is what you see, you can safely ignore all of this.
HTH,
Jason
On Wed, Jul 20, 2011 at 3:54 PM, Mengjuei Hsieh <mjhsieh.gmail.com> wrote:
> Hi,
>
> We will look into this issue momentarily, in the meantime, could you
> send me the *.mdout from some of crashed test cases?
>
> Best,
> --
> Mengjuei
>
> On Wed, Jul 20, 2011 at 11:41 AM,
> <peter.stauffert.boehringer-ingelheim.com> wrote:
> > Hello,
> >
> > I am trying to install AmberTools 1.5 (including bugfix.8) and Amber 11
> > (including bugfix.15) with Intel Compiler 11.1 on a RHEL 5.5 system.
> > Running the serial tests gives the following error messages
> >
> > Any help is appreciated.
> >
> > ==============================================================
> > cd sander_pbsa_frc && ./test
> > dbf_0.argasp
> > forrtl: severe (19): invalid reference to variable in NAMELIST input,
> unit 5,
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Jul 20 2011 - 14:00:03 PDT
