Re: [AMBER-Developers] failures in building parallel amber

From: case <case.biomaps.rutgers.edu>
Date: Tue, 18 Jan 2011 15:32:59 -0500

On Tue, Jan 18, 2011, Jason Swails wrote:

> This appears to be related to problems building parallel PBSA, but
> sander.MPI compile fails with the error messages
>
> mpif90 -c -ip -O3 -xHost -FR -o pb_force.SANDER.o _pb_force.f
> _pb_force.f(794): error #6404: This name does not have a type, and must have
> an explicit type. [NUMTASKS]
> taskpiece = levelblock(2)/numtasks

The key part of the message is the line right before where you started above:
what were the arguments to FPP (i.e. that created _pb_force.f)?

Mengjuieh (or whomever): what's up with both "ifdef MPI" and "ifdef myMPI"
in the same file? Also, it sure looks like "parallel.h" needs to be included
for parallel code, but I don't see that(?) in pb_force.f.

Also, mytaskid and numtasks appear to be both module variables (line 246 of
pb_force.f) and variables inside pb_force() (line 345). This all looks to be
in need of some cleanup.

...thx...dac


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Received on Tue Jan 18 2011 - 13:00:04 PST
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