Re: running espresso on hpc

[Jean-Noël Grad]

Hi,

In general, ESPResSo needs to be compiled on the platform where it will 
be used. It is difficult to make a diagnosis without the actual error 
message you got, but if you copied the ESPResSo build folder from an 
Ubuntu workstation to a HPC cluster, it will not work because the shared 
libraries on the HPC cluster won't match the Ubuntu shared libraries.

Best,
JN

On 2021-08-14 00:04, Gulsah Gul wrote:
> Hello all,
>
>  I can run espresso tutorials on Ubuntu with ./pypresso simulation.py
> command however I can't run my job with this command on HPC cluster.
> I uploaded espresso module and working in the build directory, but my
> job permission is denied although I corrected the PYTHONPATH. How can
> I introduce pypresso on HPC?
>
>  Thank you
>  Best