<div dir="ltr">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 :-)<div>
<br></div><div>Mark</div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Fri, Feb 7, 2014 at 1:37 AM, Hal Finkel <span dir="ltr"><<a href="mailto:hfinkel@anl.gov" target="_blank">hfinkel@anl.gov</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="">----- Original Message -----<br>
> From: "Mark Abraham" <<a href="mailto:mark.j.abraham@gmail.com">mark.j.abraham@gmail.com</a>><br>
> To: <a href="mailto:llvm-bgq-discuss@lists.alcf.anl.gov">llvm-bgq-discuss@lists.alcf.anl.gov</a><br>
> Sent: Thursday, February 6, 2014 6:26:55 PM<br>
> Subject: [Llvm-bgq-discuss] more issues from trying bgclang with GROMACS<br>
><br>
><br>
><br>
> Hi,<br>
><br>
><br>
> I had another go compiling GROMACS 5.0 beta with bgclang latest RPM<br>
> (r200401-20140129). CMake detection of OpenMP support in mpiclang<br>
> failed. Detection should just work because using the -fopenmp flag<br>
> is a standard way to do it. When I tried a manual compile:<br>
><br>
><br>
><br>
> $ ~/progs/bgclang/current/bin/bgclang -fopenmp test.c -o test<br>
> /homea/slbio/slbio013/progs/bgclang/r200401-20140129/binutils/bin/ld:<br>
> cannot find -liomp5<br>
> clang: error: linker command failed with exit code 1 (use -v to see<br>
> invocation)<br>
><br>
><br>
> That looks like a lingering Intel-ism?<br>
<br>
</div>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?<br>
<br>
-Hal<br>
<div class=""><br>
><br>
><br>
> The MPI plus non-OpenMP build seemed to go OK, but a file in our<br>
> bundled lapack subset provoked a bug (attached in tarball). That<br>
> file was not a problem in ~August 2013.<br>
><br>
><br>
> Thanks again for the effort!<br>
><br>
><br>
> Cheers,<br>
><br>
><br>
> Mark<br>
</div>> _______________________________________________<br>
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> <a href="mailto:llvm-bgq-discuss@lists.alcf.anl.gov">llvm-bgq-discuss@lists.alcf.anl.gov</a><br>
> <a href="https://lists.alcf.anl.gov/mailman/listinfo/llvm-bgq-discuss" target="_blank">https://lists.alcf.anl.gov/mailman/listinfo/llvm-bgq-discuss</a><br>
><br>
<span class="HOEnZb"><font color="#888888"><br>
--<br>
Hal Finkel<br>
Assistant Computational Scientist<br>
Leadership Computing Facility<br>
Argonne National Laboratory<br>
</font></span></blockquote></div><br></div>