Re: [AMBER] intel compiling failed

From: David A Case <>
Date: Fri, 13 Dec 2019 07:30:52 -0500

On Fri, Dec 13, 2019, Albert wrote:
>I am trying to compile Amber18+AmberTool19 with the following command:
>  ./configure -cuda intel

Simple answer is "don't do this". Amber cuda simulations run almost
completely on the GPU, so there is no point in using Intel compilers
(which just affect the CPU part.)

>Error: Unable to compile mixed C/Fortran code.

This has nothing to do with Amber, but with your compiler installation.
If you look at the configure script, you can see that it is just trying
to compile two 3-4 line programs (one in C, the other in Fortran), and
link them together. You can try to do this by hand, or just run a
Google search on the error messages. But somehow, your intel compilers
are not installed the way that we expect them to be.

Good news is that there are only a rather small number of places where
using Intel compilers really helps for Amber. So you can probably set
this problem aside until you have a few hours of free time, or can find
a friend with lots of experience to help you track things down.


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Received on Fri Dec 13 2019 - 05:00:02 PST
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