Hi Paul,
Thanks. My replies below:
On Thu, Dec 12, 2019 at 2:32 AM Paul bauer wrote:
> Hello,
>
> I'll have a look later today.
> Can you also give as information about your build configuration?
>
If I am not wrong you mean this:
-DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=on
Hello,
I'll have a look later today.
Can you also give as information about your build configuration?
If you could upload a log file from mdrun to Redmine it should be enough.
Thanks
Paul
On 12/12/2019 11:28, Dave M wrote:
Hi Mark,
Thanks just opened new issue. My all simulations are
Hi Mark,
Thanks just opened new issue. My all simulations are performed using
gromacs2019.4 and to be consistent to report the results I would like to
keep same version. But this specific case is creating trouble. What is best
I can do? if I use a different gromacs version for this specific case
Hi,
That sounds very much like a bug, but it's hard to say where it comes from.
Can you please open an issue at https://redmine.gromacs.org/ and attach
your .tpr files plus a log file from a failing run and the above stack
trace?
Mark
On Thu, 12 Dec 2019 at 08:37, Dave M wrote:
> Hi All,
>
>
Hi All,
I am getting errors which I don't understand. I ran a simulation (gromacs
2019.4) which completed fine. Then, with exactly the same system and mdp
files, I ran three repeats with different velocity seeds (so initial
configuration is same) but each simulation ended incomplete at different
