gromacs wrote:
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?
Add the Gromacs installation to your PATH and proceed as you would anything
else. Beyond that, consult your sysadmin for help. The exact sequence of
commands will be dictated by your MPI environment, presence/absence of a queuing
system, etc.
-Justin
Thanks!
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
