Re: [AMBER-Developers] pmemd.MPI build broken

From: David A Case <david.case.rutgers.edu>
Date: Sat, 5 Mar 2016 09:29:43 -0500

On Sat, Mar 05, 2016, Jason Swails wrote:
>
> Also, when I switch to using OpenMPI *without* dragonegg, the linker line
> still needs -lgomp to complete successfully, so the build doesn't really
> work in general yet.

Sounds like it's been tested mostly (only) with mpich and variants.(?) It's
suprising that the flavor of MPI library has an impact on the openmp stuff.
Maybe I'm misreading something.

I've posted my gnu5 + mpich test results to the wiki page: I'm at commit
2d5d9afbc305bfbca01. Build is fine, but I see significant (non-roundoff)
regressions.

....dac


_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Sat Mar 05 2016 - 06:30:03 PST
Custom Search