On Sun, Jul 01, 2012, caobb0214 wrote:
> I have installed CUDA version of PMEMD(SPDP mode) in Amber 11 and It
> seemed that the installation process was successfully completed.Yet
> while I ran pmemd.cuda_SPDP, this programes aborted only with the
> message "Floating point exception". I have no idea where is wrong. any
> kind of help is appreciated
What happened with the test cases? If they are OK, try to see what is
different between your input files and those in the test cases. Also, make
sure that your job works correctly on a single CPU -- the problem may have
nothing to do with GPU's.
Run a short test with nstlim=50 and ntpr=1: does that work? If not, does it
give any useful information?
These are all generic debugging instructions. Based on what you wrote, people
on the list don't know anything about what you are trying to do, and hence
won't be able to provide any specific suggestions.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Jul 01 2012 - 05:30:02 PDT
