Re: [AMBER-Developers] Second release candidate for AmberTools17

From: David Case <david.case.rutgers.edu>
Date: Mon, 3 Apr 2017 20:57:09 -0400

On Mon, Apr 03, 2017, Gerald Monard wrote:
>
> However, I've just quickly try to compile AmberTools17 on two different
> machines: my laptop (pgi 2016 community edition) and at a HPC center (pgi
> 16). On both, it fails to compile for different reasons (see attachements),
> but I'd be interested to test the speed of pmemd and cpptraj :-).

The laptop errors are all in /usr/include/c++/6.3.1/exception, which is a
part of GCC. Is PGI supposed to use this file? Is the community version
supposed to be compatible with verison gcc 6.3.1?

The hpc error is in configure: looks like the way pgi is reporting version
information is not understood by configure2. What is the exact (dot) version
of PGI you are using? Dan reports sucess at this step for PGI 16.9.

Can you report the output of "pgcc -V" on the hpc machine?

We have 120 lines of fairly fragile code in configure2, just to check versions
from 9 through 16.5 of PGI. I have the feeling that the only time anyone
uses PGI compilers with Amber is in the weeks right before a release. I
don't remember any complaints from actual users making it to the mailing list.

....dac


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Received on Mon Apr 03 2017 - 18:00:03 PDT
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