[gmx-users] HPC mpi how to run
gromacs
ptf1242 at 163.com
Wed Dec 15 02:42:04 CET 2010
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!
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