Hi Francesco,
You need to re-run the configure script in $AMBERHOME with the -openmp
option:
$AMBERHOME/configure -openmp gnu (or intel if you are using those
compilers).
To only recompile paramfit with the openmp, go to
$AMBERHOME/AmberTools/src/paramfit
and run make install
Paramfit's header message will have a line saying something like:
*************************************************************************************
Execution started at:
| Mon Apr 16 15:11:56 2012
|
| Running OpenMP version of code using 2 processors
if it has been compiled correctly with OpenMP support.
Hope this helps,
Robin Betz
On Mon, Apr 16, 2012 at 12:47 AM, Francesco Pietra <chiendarret.gmail.com>wrote:
> Hello:
> 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.
>
> Thanks
>
> francesco pietra
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Apr 16 2012 - 15:30:02 PDT
