[gmx-users] REMD on GPU

[James Starlight]

Dear Gromacs users!

I'd like to perform replica exchange simulation

For this I've made bash script which create n folders like
replica-298
replica-312
replica-323
replica-334
...
replica-N
 with all files needed for simulation considted of specified mdp file with
different ref_t value
No I'd like to launch this simulation using
 -multidir replica-298 replica-312 replica-323 replica-334

Unfortunately I've obtained

Fatal error:
mdrun -multi is not supported with the thread library.Please compile
GROMACS with MPI support

Does it possible to install mpirun on the existing Gromacs-4.6 built from
source (without removing of the installed files)?

Does it possible to run replica simulations in GPU supported mode ?

Thanks for help,

James