I think thebatch system will be more efficient. Theinteractive mode is not good, because we have to wait for the job. So is there any program or do we have to write some small program to creat a batch jobs? Thanks -------- Forwarding messages -------- From: gromacs <[email protected]> Date: 2010-12-15 09:42:04 To: [email protected] Subject: 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!
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