Re: [AMBER-Developers] finding intel libs

From: David A Case <>
Date: Fri, 18 Jan 2013 10:55:58 -0500

On Fri, Jan 18, 2013, Josh Berryman wrote:

> Yes. It seems like there are two separate use-cases, which is leading
> configure to have a bit of an inconsistent approach
> 1) ./configure -mpi intel:
> Require that all the paths are set up: mpicc points to mpiicc, with all the
> libs and paths set up correctly, and mpiicc pointing to icc. This is

I don't think this is correct. I don't see any references to mpiicc (never
knew that existed.) I think it is better to say that this option assumes
that mpicc and mpif90 are correctly installed, and know how to find the proper
libraries. For me, mpicc/mpif90 are always in $AMBERHOME/bin, but I've not
been able to ever convince anyone else that this is a desirable option.

> Despite requiring all this prior setup, it still (currently, pulled from
> dev tree about a week ago) has a kludgey look around for the intel library
> path, sometimes breaking if it turns out that the path is not what was
> expected.

It's true that configure2 tests the (serial) intel compiler even when -mpi
is set, which is probably not what it should be doing.

> 2) ./configure intel:
> Doesn't require scripts to be sourced, sets fc=ifort, etc, itself, and also
> has a kludgey look around for the intel library path.

Well, ifort still has to be in the users' PATH; I suppose we could also assume
that the user's LD_LIBRARY_PATH is also correct.(?)

...still thinking...dac

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Received on Fri Jan 18 2013 - 08:00:02 PST
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