Re: [AMBER] MMPBSA test fail

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 17 Dec 2010 19:39:05 -0500

Hello,

My comments are placed below

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
>

It can't find dacdif, which is in $AMBERHOME/test. What this suggests is
that the mmpbsa_py test directory is unpacked in the wrong place. This
directory should be placed in $AMBERHOME/test.

Be sure to follow all of the instructions here:
http://ambermd.org/tutorials/advanced/tutorial3/py_script/compile.htmincluding
the instructions of where to place the files. This may also be
why the nab_nmode script did not work (it has to be placed in $AMBERHOME/src
in order for it to find the compilers).

Good luck!
Jason


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
>
>
>
>
>
>
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>
>


-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Fri Dec 17 2010 - 17:00:11 PST
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