[AMBER] parallelization of paramfit in ambertools12

From: Francesco Pietra <chiendarret.gmail.com>
Date: Mon, 16 Apr 2012 09:47:16 +0200

I have installed without errors (after commenting out line 450 of
"configure2" as Prof Case suggested)
serial-ambertools12/serial-amber10 in Debian amd64 in a game machine
with six CPU's and two GTX-580 cards. I would be much interested in
having "paramfit" parallelized. I have an installation of OpenMPI.

It is not clear to me when and where "Enable this by adding the
-openmp option to configure and rebuilding paramfit" should be done. I
can imagine on this particular code within ambertools12,nonetheless a
bit of guideline would be helpful.


francesco pietra

AMBER mailing list
Received on Mon Apr 16 2012 - 01:00:06 PDT
Custom Search