Hi GROMACS FRIENDS,
I have dell T3500 precision, 64 bits, 6C workstation with fedora
operating system.
I want to install gromacs in parallel mode with mpi...
I am planning to performed Replica Exchange Molecular Dynamics ( REMD ).
As per REMD instruction
http://www.gromacs.org/Documentation/How-tos/REMD?highlight=remd,
GROMACS should not compile in threading.
I install open mpi with command line yum -y install openmpi.
I found that fedora add/remove software package has gromacs 4.5.5
version that can be
easily installed by command yum ..
It enlisted with total 15 different packages : eg.. two packages..
1. GROMACS Open MPI binaries and libraries
2 . GROMACS OPEN MPI shared libraries
and a more..
Please can you tell me which packages I have to install so that I can
run GROMACS 4.5.5 in parallel to do REMD.
Thank you in advance....
Have a nice day..
With Best Wishes and regards.
Rama David
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Only plain text messages are allowed!
* 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
