[AMBER] Amber 11 compilation

From: Guenegou, Guillaume [ORDFR] <GGUENEGO.ITS.JNJ.com>
Date: Mon, 9 May 2011 16:52:31 +0200

Dear all,

As some of you might know, I am trying to switch from amber 8 to amber
11.

Regarding some calculations durations, it seems sander is slower with
amber 11 than with amber 8. We will all agree it is an unexpected
result.

The results seem ok, but the calculation time does not. The problem can
be due to a compilation problem.

 

It seems amber 11 has been well compilated with the Intel compilator
(gcc compilator can also be used if needed), but without using any
special options.

I would like to know if this problem is known and if there is a
solution(compilation option, other compilator to use, ... ?).

 

The computer I use is equipped with a Intel Xeon E5530 processor (I can
give more details if needed)

 

Thanks in advance,

Regards,

G.GUENEGOU

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Received on Mon May 09 2011 - 08:00:06 PDT
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