On Wed, Jul 17, 2013 at 4:09 PM, Jacopo Sgrignani wrote:
> Dear all
> I would like running a replica exchange simulation using gromacs and gpu.
> However when I Try to run the calculation I get this message
>
> mdrun -multi is not supported with the thread library.
REMD requires an MPI-enabled bi
Dear all
I would like running a replica exchange simulation using gromacs and gpu.
However when I Try to run the calculation I get this message
mdrun -multi is not supported with the thread library.
how do I compile gromacs ?
Could anyone confirm me the possibility to run 8 replicas on one GPUs
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