Re: [AMBER] compile Amber16 with the intel compiler

From: David A Case <>
Date: Mon, 17 Oct 2016 12:12:59 -0400

On Mon, Oct 17, 2016, Vlad Cojocaru wrote:
> I am trying to compile Amber16 on a cluster with Intel compiler
> (16.0.3). However, I get the error below. The error tells that even if I
> specify the -intel option to configure, there is some stuff that
> automatically compiles with gcc. And then I get the incompatibility
> between the math.h file from intel and gnu.

> (cd FEW && make install)
> make[2]: Entering directory
> `/home/mpg05/vcojoca/apps/gwdu102/amber/16_tools-16/AmberTools/src/FEW'
> gcc miscellaneous/draw_membrane2.c -lm -o miscellaneous/draw_membrane2
> In file included from miscellaneous/draw_membrane2.c:58:0:
> /cm/shared/apps/intel/compilers_and_libraries/2016.3.210/compiler/include/math.h:29:3:
> error: #error "This Intel <math.h> is for use with only the Intel
> compilers!"
> # error "This Intel <math.h> is for use with only the Intel compilers!"
> ^

This is rather odd: do you understand why gcc would be trying to include the
math.h file from the Intel compiler? This hasn't happened on any of the
machines we have access to, but (I'm guessing) you have some environment
variable set that we haven't tried(?)

Edit the Makefile in the AmberTools/src/FEW directory, and replace "gcc" with

[Or, edit AmberTools/src/Makefile to skip compiling FEW.}

Thanks for the report....dac

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Received on Mon Oct 17 2016 - 09:30:02 PDT
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