UMBC High Performance Computing Facility
Please note that this page is under construction. We are documenting the
240-node cluster maya that will be available after Summer 2014.
Currently, the 84-node cluster tara still operates independently,
until it becomes part of maya at the end of Summer 2014.
Please see the 2013 Resources Pages under the Resources tab for tara information.
How to run GROMACS on maya
software on maya is available
[araim1@maya-usr1 ~]$ ls /usr/cluster/gromacs/4.0.7/
bin include lib share
The executables are in the bin subdirectory and have a "g_" prefix.
[araim1@maya-usr1 ~]$ ls /usr/cluster/gromacs/4.0.7/bin
completion.bash g_eneconv g_mdrun g_saltbr
completion.csh g_eneconv_d g_mdrun_d g_saltbr_d
completion.zsh g_eneconv_d_debug g_mdrun_d_debug g_saltbr_d_debug
g_anadock g_eneconv_debug g_mdrun_debug g_saltbr_debug
They are also in your PATH, so you can use them without typing the full path.
[araim1@maya-usr1 ~]$ g_pdb2gmx
:-) G R O M A C S (-:
Giant Rising Ordinary Mutants for A Clerical Setup
:-) VERSION 4.0.7 (-:
See the GROMACS
website for information
on using the software.