Hi everyone
I have a LAMMPS code that works very well on my computer. Now I am going to run it on a remote cluster. but when I use mpirun/lmp_mpi or mpiexec/lmp (as mentioned on 4.1. Basics of running LAMMPS — LAMMPS documentation) to run the code it is given the following message:
mpirun was unable to launch the specified application as it could not access or execute an executable:
would you please guide me on how I can find out what executable command will work for this system?
(I am sorry if my question related to UNIX more than LAMMPS)
The error message means that mpirun (which is a program) couldn’t find the LAMMPS program in the folder that was mentioned.
You should either look up the user guides for your cluster or get help from your cluster’s support staff to find out how to run LAMMPS there, in particular how to search for a LAMMPS module (which is how most clusters will run things), how to load it and how to specify the LAMMPS program after that.
Unfortunately, the supporter staff is out of reach at this moment and no user guide is available. So I must find it independently.
could you please help me with a way that I can learn how to run LAMMPS on the cluster?
Fatima,
This kind of assistance is next to impossible to provide from remote. If there is no support staff, there should be other users that can help you.
The error message indicates that you have given a path to the LAMMPS executable that does not exist. Indeed you gave the folder of you mpirun executable. That cannot work, and just common sense should tell you that.
Without specific knowledge of the setup of your cluster and how and where LAMMPS is installed, it is not possible to tell you what else to do.
Dear Alex
Thank you very much for your kind explanation.
Actually, the supporter staff recently made me connect to the cluster and left for vacation before I could get a chance to ask about the setup of the cluster. The cluster is in another country and I do know nothing about other users. strange situation! That is because I asked for a solution here.
Unfortunately, again, we do not have any information or control over your cluster’s setup, and you either have to use trial and error (and risk making some big mistakes) or just wait for the support staff to return.
EDIT: I just noticed, from your first message above, that you’ve installed LAMMPS on your own computer, and so the advice below does not apply. My apologies! Please ignore.
In the mean time, you can try installing LAMMPS on your own computer, and then you can at least test out your initial configurations and scripts and make sure they run properly for short times / small systems.
You may well run into unexpected problems, especially if you are not too familiar around advanced computer work, but think of installing LAMMPS like getting to know any other piece of advanced scientific equipment. Keep a detailed record of your steps; check the manual; if something goes wrong, make hypotheses about what’s went wrong and how you might fix it, and try it and see; and if all else fails, come back and ask some more. All the best!