Hi,
Gromacs install fails ta the make install command.
This is the output.
CMake Error at src/kernel/cmake_install.cmake:92 (FILE):
file INSTALL cannot find
/lus/scratch/mmm/gromacs-release-4-6/build_8.2/src/kernel/grompp.
Call Stack (most recent call first):
src/cmake_install.cmake:45
, Humayun Arafat hasa...@gmail.com
wrote:
Hi,
Gromacs install fails ta the make install command.
This is the output.
CMake Error at src/kernel/cmake_install.cmake:92 (FILE):
file INSTALL cannot find
/lus/scratch/mmm/gromacs-release-4-6/build_8.2/src/kernel/grompp.
Call Stack (most
+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 Cray compiler if you can
give
me some idea what is needed.
Currently I get error for the atomic.h inside thread_mpi. I
?
Mark
On Sat, May 18, 2013 at 12:01 AM, Humayun Arafat hasa...@gmail.com
wrote:
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
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 of these two
and therefore
you can't use any of the SIMD accelerated code. hence, the overall
performance will be at least 3x lower than with a compiler that has
decent SIMD instrinsics support.
--
Szilárd
On Mon, May 20, 2013 at 6:16 PM, Humayun Arafat hasa...@gmail.com wrote:
Hi,
I enabled mpich2
, 2013 at 5:09 PM, Roland Schulz rol...@utk.edu wrote:
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
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 =
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