Re: [AMBER] Fwd: parallel amber installation failed

From: Jason Swails <>
Date: Tue, 07 Oct 2014 13:58:59 -0400

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.
> >
> >
> 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 M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Tue Oct 07 2014 - 11:00:03 PDT
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