AMBER Archive (2006)

Subject: Re: AMBER: amber9 parralel compiling

From: David A. Case (case_at_scripps.edu)
Date: Thu Nov 30 2006 - 10:50:47 CST

On Thu, Nov 30, 2006, Nikola Trbovic wrote:
>
> qm2_scf.o(.text+0x4e0): In function `qm2_scf_':
> : undefined reference to `mpi_allreduce_'

You generally *do* need to compile your mpi version with the same compiler
you are using for Amber, but my understanding is that you did that.

Can you post the complete output for the final step that failed? This is
essentially the link step. (Easy way is to do "make sander.MPI" twice,
and save the output from the second run. The first run will have done all
the compiles, and the second should just try to link).

...thanks...dac

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