>
> After doing some investigation, I discover that the variable DO_PARALLEL
> is not recognised by Amber10.
> The variable was properly declared in my bashrc file as follow : alias
> DO_PARALLEL='mpirun -np 4'
> I also set the alias directly in the shell as follow : alias
> DO_PARALLEL='mpirun -np 4'
> The alias Command confirm that the variable was correctly set at the shell
> environment
>
> ps: I am using ubuntu 8.10
> openmpi-1.3.1
gcc version 4.3.2
>
>
>
> Below are some error output..
>
> make[1]: Leaving directory `/opt/amber10/test'
> cd rem_gb_2rep && ./Run.rem
> REM requires a parallel environment; skipping this test
> cd rem_gb_4rep && ./Run.rem
> REM requires a parallel environment; skipping this test
> cd rem_wat && ./Run.rem
> REM requires a parallel environment; skipping this test
> cd rem_hybrid && ./Run.rem
> REM requires a parallel environment; skipping this test
> cd sodium && ./Run.sodium
> TI can only be run parallel: set env var DO_PARALLEL
> Not running test, exiting.....
> cd pheMTI && ./Run.0
> diffing out.0.save with out.0
> PASSED
> ==============================================================
> cd pheMTI && ./Run.1
> diffing out.1.save with out.1
> PASSED
> ==============================================================
> cd pheMTI && ./Run.lambda0
> This test must be run in parallel
> make: *** [test.sander.TI] Error 1
>
>
>
> Thanks for the help...
>
> Yours faithfully
>
> Collins
>
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Received on Wed May 20 2009 - 13:55:08 PDT
