The output says that ptraj failed. Check the _MMPBSA_ptraj#.out and
_MMPBSA_ptraj#.out.# files and see if there is some more information in one
or more of those files.
-Bill
On Fri, Dec 17, 2010 at 2:31 PM, George Tzotzos <gtzotzos.me.com> wrote:
> Did as suggested
>
> mmpbsa.out attached.
>
> Thanks again
>
> George
>
>
>
>
> On Dec 17, 2010, at 8:16 PM, Bill Miller III wrote:
>
> > The .save files are the files that the tests compare against. That file
> was
> > made by us when we made the test suite. The files generated by the test
> will
> > have not .save at the end of the filename. Did you download the test
> suite
> > from the tutorial website, also? You should go into one of the
> directories
> > in the test folder (for example, cd into 01_Generalized_Born) and try to
> > execute the Run.GB script. Make sure to comment out the lines that remove
> > the output files afterwards. Doing this should give us more information
> on
> > the command line and/or in the output files that will be of help to
> pinpoint
> > the potential problem.
> >
> > -Bill
> >
> >
> > On Fri, Dec 17, 2010 at 2:07 PM, George Tzotzos <gtzotzos.me.com> wrote:
> >
> >> Sorry to come back on this one.
> >>
> >> mmpbsa_py george1$ make test
> >>
> >> produces the output below.
> >>
> >> I've checked the list and saw that this problem has been encountered
> >> previously. However, I didn't find a satisfactory solution for my case.
> >>
> >> The weird thing is that the test produce outputs that appear to be OK.
> I'm
> >> attaching an example for the NAB_Nmode test
> >>
> >>
> >> I'm using Python 2.6.1
> >>
> >> I have installed AmberTools1.4 and amber11-parallel. I have no previous
> >> installations of amber.
> >>
> >> Any clues how to solve this.
> >>
> >>
> >> Thanks again
> >>
> >> George
> >>
> >>
> >>
> >>
> >> cd 01_Generalized_Born && ./Run.GB
> >> ./Run.GB: line 37: ../../dacdif: No such file or directory
> >> cd 02_Poisson_Boltzmann && ./Run.PB
> >> ./Run.PB: line 37: ../../dacdif: No such file or directory
> >> cd 03_Alanine_Scanning && ./Run.ALA
> >> ./Run.ALA: line 42: ../../dacdif: No such file or directory
> >> Mutant mdcrd can only be checked in serial
> >> cd 04_Per_Residue_Decomp && ./Run.PerRes
> >> ./Run.PerRes: line 40: ../../dacdif: No such file or directory
> >> ./Run.PerRes: line 41: ../../dacdif: No such file or directory
> >> cd 05_Pairwise_Decomp && ./Run.Pairwise
> >> ./Run.Pairwise: line 40: ../../dacdif: No such file or directory
> >> ./Run.Pairwise: line 41: ../../dacdif: No such file or directory
> >> cd 06_NAB_Nmode && ./Run.nmode
> >> ./Run.nmode: line 34: ../../dacdif: No such file or directory
> >> cd 07_Comprehensive && ./Run.comprehensive
> >> ./Run.comprehensive: line 71: ../../dacdif: No such file or directory
> >> ./Run.comprehensive: line 72: ../../dacdif: No such file or directory
> >> ./Run.comprehensive: line 73: ../../dacdif: No such file or directory
> >>
> >>
> >>
> >>
> >>
> >>
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >>
> >
> >
> > --
> > Bill Miller III
> > Quantum Theory Project,
> > University of Florida
> > Ph.D. Graduate Student
> > 352-392-6715
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Fri Dec 17 2010 - 12:00:05 PST
