AMBER: pmemd and ifort 8.1

From: Niko Jukarainen <>
Date: Fri, 15 Oct 2004 16:14:03 +0300

> But, for whatever it is worth, v8.1 of the Intel compilers are able to
> compile AMBER 8 just fine. You just have to make sure that you are
> using gcc/g++, not icc, for the C/C++ language bits, and as
> Ross stated earlier, it is not critical to the overall execution speed.

There is only one sad thing with ifort 8.1, pmemd compiles, but the
binary does not pass the tests.. so it seems that the only ifort 8.x
version that compiles a useable pmemd is 8.0.046.

Niko Jukarainen, Researcher.
University of Kuopio (Finland), Department of Chemistry.
+358-17-163239, +358-44-5165148.
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Received on Fri Oct 15 2004 - 17:53:00 PDT
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