6 Nov
2017
6 Nov
'17
2:47 p.m.
On 11/5/17 7:13 AM, מירב בריטברד wrote: > I managed to build with MPI but got a runtime error (below)
This sounds like the usual OpenMPI problem documented in the IMP manual (with workarounds): https://integrativemodeling.org/2.8.0/doc/ref/namespaceIMP_1_1mpi.html
> is it critical to run replica exchange in order to get the best results > or Monte Carlo is also ok?
If you don't have MPI you'll just get replica exchange with one replica, which will give you less complete sampling, of course.
Ben
--
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"It is a capital mistake to theorize before one has data."
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