Re: [AMBER-Developers] Any idea about this Amber compile bug?

From: Scott Brozell <sbrozell.rci.rutgers.edu>
Date: Fri, 2 Sep 2016 01:49:38 -0400

Hi,

Fixed slash issue in commit 7b10c18631ff7df6aaf8c580c5e6c1ff6331f1ff

scott

On Thu, Sep 01, 2016 at 11:13:28PM -0400, Scott Brozell wrote:
>
> 1.
> Check your environment for an errant FC variable.
> If FC contains slashes then that might be causing the error from sed.
>
> Configure now lets FC override fc, eg:
> 1145: if [ -z "$FC" ]; then fc=gfortran; else fc="$FC"; fi
> 1335: if [ -z "$FC" ]; then fc=ifort; else fc="$FC"; fi
> 1689: if [ -z "$FC" ]; then fc=pgf90; else fc="$FC"; fi
> which was not envisioned when i wrote extract_and_emit_compiler_versions.
> We now need some more bullet proofing in that routine.
>
> 2.
> If 1 doesn't fix it then send verbose and verbatim details including
> the result of requesting the version from your fortran compiler.
> Send it to me or to am dev.
>
> scott
>
>
> On Thu, Sep 01, 2016 at 08:53:07PM -0400, Jason Swails wrote:
> > It's in AmberTools/src. The configure script calls it directly so you should be able to follow the logic from there.
> >
> > What it sounds like is that the Intel compilers changed their version output format *again*, so you'll need to fix that parsing.
> >
> > HTH,
> > Jason
> >
> > --
> > Jason M. Swails
> >
> > > On Sep 1, 2016, at 4:45 PM, David Cerutti <dscerutti.gmail.com> wrote:
> > >
> > > Hi Dan (and Devs),
> > >
> > > I'm running into a problem compiling amber on MSU HPCC. I googled and
> > > found that you had helped someone with nearly the exact same error two
> > > years ago, so I tried your solution with soft-links:
> > >
> > > http://archive.ambermd.org/201405/0396.html
> > >
> > > However, this still did not work. I notice that, prior to the time at
> > > which I get the error the other user reported, there was another failure
> > > relating to Fortran compiler version identification. (The issue in 2014 did
> > > not appear to be prefaced by this.)
> > >
> > > Checking for updates...
> > > Checking for available patches online. This may take a few seconds...
> > >
> > > Available AmberTools 17 patches:
> > >
> > > No patches available
> > >
> > > Available Amber 17 patches:
> > >
> > > No patches available
> > >
> > > Using the AmberTools miniconda installation in
> > > /home/cerutti/amber//miniconda
> > > version 2.7.12
> > >
> > > Obtaining the intel compiler suite versions, e.g.:
> > > /opt/software/ClusterStudio/2016.3/bin/icc -v
> > > The C version is 16.0.3
> > > sed: -e expression #1, char 8: unknown option to `s'
> > > The Fortran version is
> > > ./configure2: line 1384: [: : integer expression expected
> > > ./configure2: line 1385: [: : integer expression expected
> > > ./configure2: line 1462: [: : integer expression expected
> > > ./configure2: line 1543: [: : integer expression expected
> > >
> > > Testing the /opt/software/ClusterStudio/2016.3/bin/icc compiler:
> > > ...
> > > <<<
> > >
> > > Notice the references to ./configure2; I'm looking around for where that
> > > script might have been placed so that I can see what's happening around
> > > those lines, but I don't see it. Can you point out where this might be?
> > > There are a lot of issues with the modules system and platform-specific
> > > settings on our HPCC machines, but this may lead us to some more general
> > > ways to shore up the compilation.

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Received on Thu Sep 01 2016 - 23:00:03 PDT
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