[gmx-developers] replica exchange -- multiple cpus per replica

servaas michielssens servaas.michielssens at student.kuleuven.be
Wed Mar 19 18:09:19 CET 2008


Hi,

I changed the replica exchange code a little to do Hamiltonian replica
exchange but because my system is large, it would be useful if I could
use multiple cpus per replica. I was wondering if their are plans for
this in gromacs4? And if so if someone can give some estimate when this
will be released. (I was considering to do it myself, but since I 'm not
an experienced programmer this could take me some time. But on the other
hand could it be an interesting way to gain some experience :-).)

kind regards,

servaas michielssens




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