On Feb 11, 2021, at 11:55 AM, Max R. Dechantsreiter
wrote:
>
> Not sure about the latest, but I built v4.1.x-202102090356-380ac96
> without errors, then used that to successfully build andd test
> GROMACS parallel mdrun.
Great!
> While I do not like using non-release versions, this is
On Thu, Feb 11, 2021 at 04:46:44PM +, Jeff Squyres (jsquyres) wrote:
> We did have some issues with 4.1.0 and AVX, but we have fixed everything that
> we were aware of.
>
> I'd be curious to know if you still have build failures in the latest 4.1.x
> nightly snapshot.
Not sure about the
You might want to ask your question to the Gromacs community -- they can
probably be more helpful than we can (we know little / nothing about Gromacs).
Good luck!
On Feb 11, 2021, at 10:46 AM, Wenhao Yao via users
mailto:users@lists.open-mpi.org>> wrote:
Thanks for helping me though it a
We did have some issues with 4.1.0 and AVX, but we have fixed everything that
we were aware of.
I'd be curious to know if you still have build failures in the latest 4.1.x
nightly snapshot.
If you do, can you send the following:
- stdout/stderr from running configure
- config.log
-
Thanks for helping me though it a question out of topic,
Could I know under which category should
I run the given command from your side. For example under OPENMPI's or any
of GROMACS...
Thanks for your attention, I appreciate any suggestions from your side.
...The error that prompted me to start this thread occurred
during "make all" with 4.1.0:
.
.
.
Making all in mca/op/avx
gmake[2]: Entering directory
`/home/maxd/XX/Build/openmpi-4.1.0_gcc-10.2.0/ompi/mca/op/avx'
CC op_avx_component.lo
CC
I ran into a problem with 4.1.0 several weeks ago,
and no longer recall precisely how; I am now rebuilding
both 4.1.0 and a recent 4.1.x, then will use them to
build GROMACS, probably the application I was attemping
back then.
But I do have this from my notes (for 4.1.0):
mpicc -fopenmp
This is not an Open MPI question, and hence not a fit for this mailing
list.
But here we go:
first, try
cmake -DGMX_MPI=ON ...
if it fails, try
cmake -DGMX_MPI=ON -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx .
..
Cheers,
Gilles
- Original Message -
Hi, MPI
