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Re: [IMP-users] MPI setup



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
--
                      https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
	- Sir Arthur Conan Doyle