From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Thu Feb 05 2015 - 07:55:53 CST
From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf Of Ma'Mon Hatmal
Sent: Thursday, February 05, 2015 1:32 PM
Hope this message finds you all well.
I'm trying to set-up namd runs on multi-servers, each server with multi-processors. These servers use MPI system, which can't be used with namd. Any suggestions please?
Why do you think that? You need to understand that MPI is nothing else then a software which transport data across a “standard” network hardware. NAMD which is based on charm++ CAN use its own communication protocol or simply use MPI as well. Therefore you need to compile NAMD yourself, based on an MPI-charm++ build. If you download the source, you will find a notes.txt. You will find that building NAMD in that way is mostly copying commands out of that notes.txt. BUT you can simply use a precompiled “net” binary and use it with a IP based network you have.
Anyway you should give us some more information about the network hardware you are using, so that we can give the best advice.
-- Dr. Ma'mon Hatmal
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