Re: [AMBER-Developers] compiling AMBER on a new system

From: Daniel Roe via AMBER-Developers <amber-developers.ambermd.org>
Date: Mon, 12 Sep 2022 19:57:58 -0400

Hi Tom,

It's been a while since I compiled on an IBM, but I remember having to
use the '-nosse' flag of the old 'configure' script to get it to work
(I think). I think the cmake equivalent is -DSSE=FALSE. Maybe give
that a try if you haven't already.

-Dan

On Mon, Sep 12, 2022 at 6:41 PM Thomas Cheatham via AMBER-Developers
<amber-developers.ambermd.org> wrote:
>
>
> Howdy all,
>
> I am trying to compile both amber18 and/or amber22 on longhorn at TACC
> which has IBM nodes and I get alternatively tripped up in miniconda /
> netcdf / etc. Has anyone modified the cmake for IBM compile? I get tripped
> up since when I do gnu, it puts x86 everywhere rather than what the IBM
> expects.
>
> It is strange since I was able to get it to compile a few years ago. I
> know TACC had troubles with Frontera and amber22; I'll inquire if they
> resolved these.
>
> Thanks! --tom
>
> \-/ Professor Thomas E. Cheatham, III
> -/- Department of Medicinal Chemistry, College of Pharmacy
> /-\ Director, Research Computing and CHPC, UIT, U of Utah
> \-/
> -/- tec3.utah.edu http://www.chpc.utah.edu/~cheatham
> /-\ SKH-4914 (801) 587-9652; FAX: (801) 585-6208
> \-/ INSCC-410 (801) 585-6318; FAX: (801) 585-5366
>
>
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