I am working on some specific features of Cray compiler.
But it seems like other features are also necessary.
Thanks a lot for the patch.
On Mon, May 20, 2013 at 6:48 PM, Roland Schulz rol...@utk.edu wrote:
Hi,
I agree with Mark that it is probably not worth it. Why are you
interested in
Hi,
I tried different options.
cmake -DGMX_MPI=ON/OFF ..
cmake -DGMX_THREAD_MPI=OFF/ON ..
I tried both of these two flags together. But none of them worked.
The compilation fail in either gmx_omp.c or gmx_thread_affinity.c
Can you please suggest me another way to turn off the thread mpi?
Specify an MPI compiler and use cmake -DGMX_MPI=on by itself. That is
mutually exclusive with thread mpi.
Mark
On Mon, May 20, 2013 at 5:01 PM, Humayun Arafat hasa...@gmail.com wrote:
Hi,
I tried different options.
cmake -DGMX_MPI=ON/OFF ..
cmake -DGMX_THREAD_MPI=OFF/ON ..
I tried both
Hi,
I enabled mpich2 and used that to compile gromacs using this command
cmake -DGMX_MPI=ON ..
But I am still getting the error.
[ 10%] Building C object
src/gmxlib/CMakeFiles/gmx.dir/gmx_thread_affinity.c.o
CC-20 craycc: ERROR File =
/home/users/mmm/gromacs/include/thread_mpi/atomic.h, Line
The thread-MPI library provides the thread affinity setting
functionality to mdrun, hence certain parts of it will always be
compiled in, even with GMX_MPI=ON. Apparently, the Cray compiler does
not like some of the thread-MPI headers. Feel free to file a bug
report on redmine.gromacs.org, but
I am only interested in GPU code.
Is there anyway I can just run this using cray compilers?
thanks
On Mon, May 20, 2013 at 12:06 PM, Szilárd Páll szilard.p...@cbr.su.sewrote:
The thread-MPI library provides the thread affinity setting
functionality to mdrun, hence certain parts of it will
On Mon, May 20, 2013 at 1:23 PM, Humayun Arafat hasa...@gmail.com wrote:
I am only interested in GPU code.
Is there anyway I can just run this using cray compilers?
Why do you want to use the cray compilers? As Mark said those aren't
supported. We reported the problems with them to Cray but
Hi Roland,
I can actually try to solve some issues with Cray compiler if you can give
me some idea what is needed.
Currently I get error for the atomic.h inside thread_mpi. I think it needs
intrinsics.
Maybe there are some others as well.
Please let me know the issues.
thanks
On Mon, May
Hi,
Fixing or working around Cray's compilers (whether atomic support or vector
intrinsics) is really not worth any of our time if gcc+mpi is available.
Mark
On Tue, May 21, 2013 at 12:40 AM, Humayun Arafat hasa...@gmail.com wrote:
Hi Roland,
I can actually try to solve some issues with
Hi,
I agree with Mark that it is probably not worth it. Why are you
interested in it? Are you working on the Cray compiler or planning to
use some specific features?
You need to apply the patch here: https://gerrit.gromacs.org/#/c/2343/
to get it to compile. But of course then it will still be
Hi,
I need some help for the compilation of gromacs using Cray compilers(CCE).
I can compile gromacs using GNU compilers but not using CCE.
I am using gromacs 4.6 and cmake 2.8.4 on Cray XE6
After doing cmake, when I try to do make, I am getting this error.
CC-20 craycc: ERROR File =
Cray's compiler is largely/wholly untested. I'd suggest you use the version
of gcc that you know works.
For use on a big cluster, you probably don't want Thread MPI anyway. Does
cmake -DGMX_MPI work?
Mark
On Sat, May 18, 2013 at 12:01 AM, Humayun Arafat hasa...@gmail.com wrote:
Hi,
I need
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