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Re: [IMP-users] MPI setup
- To: מירב בריטברד <>
- Subject: Re: [IMP-users] MPI setup
- From: Ben Webb <>
- Date: Mon, 6 Nov 2017 14:47:30 -0800
- Cc: Help and discussion for users of IMP <>
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