On Mon, Oct 5, 2015 at 5:52 PM, Mark Abraham
wrote:
> Hi,
>
> Indeed, although having the craype-ivybridge module loaded (when perhaps it
> was not loaded at CMake time) does not look like it would help.
>
That certainly does not look right (either), if the target is AVX2 (and
AFAIK XC40 means H
Hi,
Indeed, although having the craype-ivybridge module loaded (when perhaps it
was not loaded at CMake time) does not look like it would help.
Mark
On Mon, Oct 5, 2015 at 5:47 PM Szilárd Páll wrote:
> On Mon, Oct 5, 2015 at 6:15 AM, kevin chen wrote:
>
> > Dear Gromacs users,
> >
> > I am tr
On Mon, Oct 5, 2015 at 6:15 AM, kevin chen wrote:
> Dear Gromacs users,
>
> I am trying to build gromacs on our latest supercomputer CRAY XC40, but the
> following errors using gcc and fftw. Here's my list of module loaded and
> install script, can anyone give any instructions?
>
> ==
Hi,
Often the XC40 has a different kind of login vs compute node. Here it looks
like you have configured for the compute node, but are actually using a
toolchain to build for the login node. Use the Cray MPI wrapper compiler
configured to use gcc as its back end as the compiler to give to CMake, a
Dear Gromacs users,
I am trying to build gromacs on our latest supercomputer CRAY XC40, but the
following errors using gcc and fftw. Here's my list of module loaded and
install script, can anyone give any instructions?
=
Curr
I am trying to install gromacs 5.0.5, and I did the following like you said:
module load fftw
module swap PrgEnv-cray PrgEnv-gnu
../../CMake/bin/cmake -DGMX_BUILD_SHARED_EXE=off ..
(I had to build Cmake myself, since Cmake version installed on our
supercomputer is 2.6 and I built Cmake for the ve
Hi,
your not saying what version you are trying to install. Assuming 5.0.5 it
should just work with
cmake -DGMX_BUILD_SHARED_EXE=off ..
Make sure to select GCC or ICC as compiler with a command such as (might be
different on your machine)
module swap PrgEnv-pgi PrgEnv-gnu
If it still doesn't wor
Dear Gromacs users,
I am trying to build gromacs on our latest supercomputer CRAY XC40, but I
am unable to do so because of lack of administrator privileges and
different programming environment, w.r.t. my previous experience on tyrone
supercomputers. I continuously get errors regarding something