[Llvm-bgq-discuss] more issues from trying bgclang with GROMACS

[Mark Abraham]

OK, thanks. Will try later.

Mark


On Sat, Feb 8, 2014 at 2:57 AM, Hal Finkel <hfinkel at anl.gov> wrote:

> ----- Original Message -----
> > From: "Mark Abraham" <mark.j.abraham at gmail.com>
> > To: "Hal Finkel" <hfinkel at anl.gov>
> > Cc: llvm-bgq-discuss at lists.alcf.anl.gov
> > Sent: Thursday, February 6, 2014 7:23:18 PM
> > Subject: Re: [Llvm-bgq-discuss] more issues from trying bgclang with
> GROMACS
> >
> >
> > Oops, I did indeed forget to unpack that RPM. Thanks for the tip!
> > With it, the OpenMP aspect build was flawless. I was able to work
> > around the other bug by compiling those files at -O2 - which is fine
> > for normal GROMACS. Test run in the queue :-)
>
> With r201012-20140207, I think you'll be able to compile those files with
> -O3 as well.
>
>  -Hal
>
> >
> >
> > Mark
> >
> >
> >
> > On Fri, Feb 7, 2014 at 1:37 AM, Hal Finkel < hfinkel at anl.gov > wrote:
> >
> >
> >
> > ----- Original Message -----
> > > From: "Mark Abraham" < mark.j.abraham at gmail.com >
> > > To: llvm-bgq-discuss at lists.alcf.anl.gov
> > > Sent: Thursday, February 6, 2014 6:26:55 PM
> > > Subject: [Llvm-bgq-discuss] more issues from trying bgclang with
> > > GROMACS
> > >
> > >
> > >
> > > Hi,
> > >
> > >
> > > I had another go compiling GROMACS 5.0 beta with bgclang latest RPM
> > > (r200401-20140129). CMake detection of OpenMP support in mpiclang
> > > failed. Detection should just work because using the -fopenmp flag
> > > is a standard way to do it. When I tried a manual compile:
> > >
> > >
> > >
> > > $ ~/progs/bgclang/current/bin/bgclang -fopenmp test.c -o test
> > > /homea/slbio/slbio013/progs/bgclang/r200401-20140129/binutils/bin/ld:
> > > cannot find -liomp5
> > > clang: error: linker command failed with exit code 1 (use -v to see
> > > invocation)
> > >
> > >
> > > That looks like a lingering Intel-ism?
> >
> > Yes, but that's okay, the libomp package should create the necessary
> > symlink for you. Did you install
> > bgclang-libomp-r200401-20140129-1-1.ppc64.rpm?
> >
> > -Hal
> >
> >
> > >
> > >
> > > The MPI plus non-OpenMP build seemed to go OK, but a file in our
> > > bundled lapack subset provoked a bug (attached in tarball). That
> > > file was not a problem in ~August 2013.
> > >
> > >
> > > Thanks again for the effort!
> > >
> > >
> > > Cheers,
> > >
> > >
> > > Mark
> > > _______________________________________________
> > > llvm-bgq-discuss mailing list
> > > llvm-bgq-discuss at lists.alcf.anl.gov
> > > https://lists.alcf.anl.gov/mailman/listinfo/llvm-bgq-discuss
> > >
> >
> > --
> > Hal Finkel
> > Assistant Computational Scientist
> > Leadership Computing Facility
> > Argonne National Laboratory
> >
> >
>
> --
> Hal Finkel
> Assistant Computational Scientist
> Leadership Computing Facility
> Argonne National Laboratory
>
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