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

[Hal Finkel]

----- 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?
> 
> 
> 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.

A recent upstream changed has caused this problem; and there has been active upstream work on fixing it. A very recent upstream commit may fix this; I'll find out. Either way, I'll make sure this gets taken care of.

 -Hal

> 
> 
> Thanks again for the effort!
> 
> 
> Cheers,
> 
> 
> Mark
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> 

-- 
Hal Finkel
Assistant Computational Scientist
Leadership Computing Facility
Argonne National Laboratory