Re: [AMBER] FW: amber14 errors

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 2 Apr 2015 16:08:49 -0400

On Thu, Apr 2, 2015 at 3:51 PM, Shahzeb <sms5713.psu.edu> wrote:

> Hello,
>
> The LD_LIBRARY_PATH didn't have any intel library as I believe since we
> clean the environment using module purge. We can try running again to make
> sure environment is set properly. I highly doubt OpenMPI is broken and
> rather a configuration fix on Amber end we need to do.
>

​All Amber does when it compiles MPI programs is use the compiler wrappers
mpif90 and mpicc. The error we got said that there was a missing symbol
that looked like it should come from an OpenMPI library. If this can't be
found at runtime, that means that the library containing that symbol is not
in ld.so.conf or in LD_LIBRARY_PATH; that's not an Amber issue, that's an
environment or MPI installation issue.

​The other errors were unfulfilled runtime ld dependencies -- again, not
something Amber has any kind of control of.​

All the best,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Apr 02 2015 - 13:30:02 PDT
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