Hi Mark,
Are there any other suggestions you would have for me to try? I would happily
provide someone with remote access to my computer but the University now
requires all on campus connections to go through a VPN.
Regards,
Steffen
--
Steffen Graether, Ph.D.
Associate Professor
University of
-I. Yet somehow that is lost.
Mark
On Mon, Aug 14, 2017 at 2:52 PM Steffen Graether
mailto:graet...@uoguelph.ca>>
wrote:
Hi Mark,
Here are the results for a few different runs:
(1) gmx mdrun -v -deffnm md_0_1 -nb cpu
Runs fine and completes
(2) gmx mdrun -v -d
g 8, 2017, at 6:03 PM, Steffen Graether wrote:
>
> Hi,
>
> I am trying to run a protein/water simulation using a new computer (Ryzen
> 1700X, Nvidia GTX 1070 running Ubuntu 17.04). I compiled GROMACS 2016.3 with
> gcc-5 (CUDA 8.0 complained that it only supports
ist.sys.kth.se>>
Hi,
That's a bit mysterious, because we check that that works in our automated
testing. If running a simulation works then everything is fine, but it's
possible the same error arises. Can you try that, please, and report back?
Mark
On Fri, 11 Aug 2017 23:48 Steffe
Hi,
I am trying to compile GROMACS 2016.3 on a Mac Pro (Late 2013) running macOS
10.12.6. I can get it to compile fine and it can run my own simulation fine on
CPU only, but I am having difficulty getting to work with the GPU (FirePro
D500).
Used cmake .. -DGMX_BUILD_OWN_FFTW=ON -DGMX_GPU=on -
Hi,
I am trying to run a protein/water simulation using a new computer (Ryzen
1700X, Nvidia GTX 1070 running Ubuntu 17.04). I compiled GROMACS 2016.3 with
gcc-5 (CUDA 8.0 complained that it only supports up to version 5) and
-DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON, otherwise defaul
these days):
>
> export LD_LIBRARY_PATH=/path/to/your/gcc/lib64:$LD_LIBRARY_PATH
>
> in the shell from which you want to run gmx.
>
> We should probably look into having cmake hack on the RPATH so this can
> work more automagically.
>
> Mark
>
> On Wed, May 24, 2
; Make sure you try this on clean folder: remove everything download and try
> again. Maybe some old files interfering.
>
>
>On Wednesday, May 24, 2017 4:14 AM, Steffen Graether
> wrote:
>
>
> Hi,
>
> I?ve tried installing GROMACS 2016.3 on Ubuntu 17.04. I?ve
Hi,
I’ve tried installing GROMACS 2016.3 on Ubuntu 17.04. I’ve checked that gcc-6
and g++6 are installed, but when running cmake I get the following error:
-- Performing Test CXX11_STDLIB_PRESENT - Failed
CMake Error at cmake/gmxTestCXX11.cmake:139 (message):
This version of GROMACS requires
