Hi,
On Mon, Apr 03, 2017 at 08:57:09PM -0400, David Case wrote:
> 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.
I use pgi routinely; eg, in early Feb:
commit 6617bd2954c5806bad39be0db2d782f5b8990861
Author: Scott Brozell <srb.osc.edu>
Date: Fri Feb 3 21:53:12 2017 -0500
Updated PGI support to 16.5.0: pgCC -> pgc++ and -pgcpplibs -> -pgc++libs.
Of course, we could and probably should pick a version older than 9 or 13
to start our support which looks like it would then eliminate most version
checking. Easy post release work.
Yes, we need to see pgcc -V from Gerald.
I am not seeing any such problems.
I suspect that most test errors in a pgi build are lurking Amber bugs.
I've started a build with
pgcc 17.3-0 64-bit target on x86-64 Linux -tp haswell
scott
ps
I'll start a build with Intel compilers without MKL.
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Received on Mon Apr 03 2017 - 19:00:02 PDT
