Re: [AMBER] Problem with AMBER20 compilation using Intel/20.4 compiler

From: Samuel Mohan Dass, Premila <>
Date: Tue, 9 Mar 2021 17:23:34 +0000

Thanks Dave!
I am using the Amber20 tarballs.


> On Mar 9, 2021, at 11:15 AM, David A Case <> wrote:
> On Mon, Mar 08, 2021, Samuel Mohan Dass, Premila wrote:
>> ifort: error #10105: /jet/packages/intel/compilers_and_libraries_2020.4.304/linux/bin/intel64/fortcom: core dumped
>> ifort: warning #10102: unknown signal(21370896)
>> ifort: error #10106: Fatal error in /jet/packages/intel/compilers_and_libraries_2020.4.304/linux/bin/intel64/fortcom, terminated by unknown
>> compilation aborted for /ocean/projects/mcb200041p/premila/amber20_src/AmberTools/src/sander/ips.F90 (code 1)
> Two points of information here:
> 1. For me, with intel 2019.5 compilers and the current development codes,
> the CMake build looks fine. If anyone is using 2020 Intel compilers, you
> might note if you have or have not seen a compiler core dump when trying to
> compile ips.F90.
> 2. Premila is working on XSEDE, and has been assigned to Bridges-2, which
> looks like it's not quite ready for prime time. Among other things, the
> only GNU compilers it makes available is gcc10, which won't work for Amber.
> Bridges itself has lots of modules for earlier versions, but the Exceed
> website doesn't even mention Bridges-2 yet. So: if anyone can get Amber
> running on Bridges-2, we should post hints for that.
> Premila: are you using the master branch from, or the
> released Amber20 tarballs? The former would be better, although ips.F90
> has not changed since Feb. of 2016. If Intel compilers can't handle that
> source file, I would have thought we would have found out before now....
> ...thx...dac
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Received on Tue Mar 09 2021 - 09:30:03 PST
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