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

[Hal Finkel]

----- 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