Dariush Mohammadyani

2 Questions 5 Answers 0 Followers

Questions related from Dariush Mohammadyani

How can I install gromacs with an openmpi installed in a non-standard path (not on the root)?

Our compute node does not have access to the root. Therefore, we have two different version of OpenMPI. I am wondering to know how I can specify the path for OpenMPI when I compile Gromacs.

05 May 2018 3,893 2 View

Gromacs works fine on one node, but does not generate outputs on multiple nodes. What might be wrong?

I'm using AWS to run gmx simulations. The compute node does not have access to the root. I am guessing gmx does not have access to openmpi as well, but I added a full path to the script to use the...

05 May 2018 1,280 3 View