[gmx-users] HPC mpi how to run

[Shi Wenxiong (Dr)]

________________________________________
From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] On Behalf Of gromacs [ptf1242 at 163.com]
Sent: Wednesday, December 15, 2010 9:42 AM
To: gmx-users at gromacs.org
Subject: [gmx-users] HPC mpi how to run

Hi ,

I have installed PSFTP and PuTTY. I have seen the Gromacs-4.0.7 in ./opt in wivenhoe (cluster), and i know how to upload my file to my folder using PSFTP. However i donot know how to run it in HPC; when i using Gromacs-4.0.7 in my desktop, if the Gromacs is installed properly, there will be a line when i type the command 'luck'.

How can i see the gromacs whether it istalled properly?
how can i run simulations on HPC?
Thanks!


If you have installed the PuTTY. You can login using your account and password by putty. Then you can type luck as on the terminal in your own computer.



CONFIDENTIALITY: This email is intended solely for the person(s) named and may be confidential and/or privileged. If you are not the intended recipient, please delete it, notify us and do not copy, use, or disclose its content. Thank you.

Towards A Sustainable Earth: Print Only When Necessary