Re: AMBER: Test error in installing amber 10 using four threads on a single-cpu machine

From: haixiao jin <jinhx952.gmail.com>
Date: Sun, 7 Sep 2008 21:26:31 +0800

dear DA Case, thank you very much!
here is another information about EVB in "make test":

cd evb/poh_dbonds_umb_dg_UEF_9DG && ./Run.evb

Running multisander version of sander amber 10
       Total processors = 2
      Number of groups = 2
1 additional process aborted (not shown)
./Run.evb: Program error


what can I do ?



On Sun, Sep 7, 2008 at 8:50 PM, David A. Case <case.biomaps.rutgers.edu>wrote:

> On Sun, Sep 07, 2008, haixiao jin wrote:
> > 1. During "make test.parallel.MM <http://test.parallel.mm/>", some error
> was appeared.
> >
> > 1) If I perform DO_PARALLEL "mpirun ?np 2", it will appear "this test
> > case(/opt/amber10/test/PIMD) requires a least 4 mpi threads", it exit
> this
> > job test and continue test the other job;
> >
> > 2) while if I perform DO_PARALLEL "mpirun ?np 4", it will appear "this
> > test case (/opt/amber10/test/ncsu/abremd) requires a least 4 mpi
> threads".
>
> These are not errors. Some tests have requirements on the number of
> threads, and are skipped if the requirements are not met.
>
> >
> > 2. During "make test.parallel.QMMM", one error was appeared:
> >
> > DFTB SLKO files not found ?Skipping Test?..
>
> See the manual: you need to download DFTB files from the web.
>
> ...dac
>
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Received on Wed Sep 10 2008 - 06:07:07 PDT
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