Re: [AMBER] AMBER18 compilation using intel compiler

From: David A Case <>
Date: Wed, 3 Oct 2018 10:03:17 -0400

On Wed, Oct 03, 2018, wrote:

> we are not able to compile AMBER18 version with new intel compiler (13). It
> fail on this error

Intel compiler versions are labelled by the year of release, so version
13 is not really "new". My understanding (others can correct this) is
that we have tested Intel compilers from 16 to 18.

What OS are you using?
> GCC 4.7
> safemem.F90:1404:0: error: type mismatch in binary expression

Odd: I don't see any "binary expression" at line 1404.... But the oldest
gnu compiler tested might have been 4.9.1.

> GCC 4.9
> /usr/bin/ld: fftw3_dummy.o: relocation R_X86_64_32 against `.text' can not
> be used when making a shared object
> ; recompile with -fPIC

You might try to change line 468 of
AMBERHOME/AmberTools/src/sander/Makefile to:

    $(CC) $(CFLAGS) -c fftw3_dummy.c

The $(CFLAGS) option looks like it should be there, and will add -fPIC
to the compile-time options.

Thanks for the reports. Old-ish compilers present a challenge in asking
people to compile code themselves. The gcc 4.7 series was begun in
2012, and the 4.9 series in 2014. But if there are simple things we can
do to accommodate older compilers, we'll try to get those in.


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Received on Wed Oct 03 2018 - 07:30:02 PDT
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