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

Mark Abraham mark.j.abraham at gmail.com
Thu Feb 6 18:26:55 CST 2014


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.

Thanks again for the effort!

Cheers,

Mark
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