AMBER Archive (2008)
Subject: Re: AMBER: Build a MPI NAB
From: David A. Case (case_at_scripps.edu)
On Tue, Apr 08, 2008, Hu, Shaowen (JSC-SK)[USRA] wrote:
Aargh! Section 6.4 of the Users' Manual is outdated. The mpi_init()
The result is that you don't need to change anything to run MPI codes.
nab -c gbrna_long.nab
Then look at the gbrna_long.c file. You will see what is happening.
Bottom line is that you should ignore the part in Section 6.4 where it tells
You also need to pick up bugfix.2 from http://ambermd.org/bugfixes.html. Then,
Sorry for the glitches: we mostly use the openmpi version of NAB, and it is