AMBER Archive (2008)

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

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Sun Sep 07 2008 - 07:50:57 CDT

On Sun, Sep 07, 2008, haixiao jin wrote:
> 1. During "make 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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