[gmx-users] gromacs command in mpi single precision

[Alexander Alexander]

Dear gromacs user,

What are the gromacs command on parallel mdrun in single precision in 5.1.2
version?
I just know the "gmx mdrun" changes to "mpirun gmx_mpi mdrun" as you can
see in below script, but how about otheres? for example "gmx grompp" ?


#$ -A gromacs_parallel
#$ -pe orte_sl16* 32
. /etc/profile.d/modules.sh
module load openmpi-1.6.3/icc/1.6.3
module load intel/intelPSXE2011SP1-64

mpirun gmx_mpi mdrun -ntomp 1 -deffnm eql1 -s eql1.tpr >C.log 2>&1
joberror=$?
exit $joberror

Thanks,
Regards,
Alex