On Tue, 2014-10-07 at 13:53 -0400, David A Case wrote:
> On Tue, Oct 07, 2014, Fabian Glaser wrote:
> >
> > Thanks for your quick reply here there is a link to both files with the
> > configure and make outputs, please let me know if you can access them.
> >
> > https://www.dropbox.com/sh/njtid64ckc1qrmb/AABMlxfmEYLB_JS7eSpE2V_6a?dl=0
>
> Several things to look at:
>
> 1. the configure script failed to find patches; this may be because you
> have made local changes to the code that don't work with the patches, or
> because of some other problem. (We need to work on getting better error
> messages when update_amber fails, or have manual instructions that could
> better pinpoint which patch is failing and why).
>
> Suggestion is to upgrade to a fresh AmberTools14 and try that.
>
> 2. You ran configure with gnu compilers specified (at least as far as one can
> tell in the configure log file), but the make.out indicates that you are using
> mpicc, etc. from the Intel compiler suite. You must configure MPI to use the
> same compilers that were used at configure time. Typing "mpicc -show" will
> indicate exactly what mpicc is doing "under the hood", and may help in getting
> a consistent implementation.
Ah, good catch. I didn't notice this. This would definitely cause
problems and needs to be fixed.
All the best,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Oct 07 2014 - 11:00:03 PDT
