Re: [AMBER] Intel Compilers, SSE_TYPES, and auto CPU dispatch

From: Novosielski, Ryan <>
Date: Tue, 13 Jan 2015 13:53:55 -0500

> On Jan 13, 2015, at 1:18 PM, Jason Swails <> wrote:
> On Tue, 2015-01-13 at 12:46 -0500, Novosielski, Ryan wrote:
>> I was pretty suspicious of -xHost. I'm not a developer, and my
>> experience is limited with the Intel compiler as I've just started
>> using it this year, but I know -xSSE3 is what I've seen recommended.
>> So I figured there might be some connection here.
>> The recommendations I've seen from others talking about the Intel
>> compiler auto CPU dispatching is to start with that as a baseline, and
>> then -ax to add specific processor sets that you'd like to include.
>> Thank you for your response. I had a vague hunch that this was
>> something that maybe just never got finished properly. Does anyone
>> happen to know if SSE_TYPES is just something used by Amber, or if
>> it's something that the Intel compiler respects?
> I had thought it was an Amber configure thing. In particular,
> configure2 processes this variable into "-ax$SSE_TYPES" in the COPT and
> FOPT flags.
> I don't know for sure that Intel makes no use of this variable, but I
> suspect it is just Amber's configure. If I'm wrong here, hopefully
> someone will correct me.

Looks like the problem is in $AMBERHOME/AmberTools/src/configure2, on lines 1105 and 1110 specifically. I’ve compiled with those two lines, changing -xHost to -xSSE3 and setting SSE_TYPES to SSE4.1,SSE4.2 before configure and that appears to have worked. I couldn’t swear that it’s bothering to invoke the SSE4.1/4.2 instructions on the hosts (I can probably check with Intel for how to figure it out), but at least I’ve theoretically got something workable.

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Received on Tue Jan 13 2015 - 11:00:02 PST
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