Hi,
On Mon, Mar 7, 2016 at 1:20 PM, Wesley Alves <wesley.diatom.gmail.com> wrote:
>
>> export DO_PARALLEL="mpirun -np 2"
>> make test
> (cd AmberTools/test && make test)
> make[1]: Entering directory '/home/labime/amber14/AmberTools/test'
> ./test_at_serial.sh
>
> Warning: DO_PARALLEL is set to "mpirun -np 2".
> This environment variable is being unset for serial testing.
Running 'make test' from $AMBERHOME will only test the last completed
build, which in your case is apparently the serial one. If you want to
run tests on all installed components (i.e. parallel, serial, cuda)
you should run those tests using the appropriate scripts. For example,
the Amber component (pmemd) tests are found in $AMBERHOME/test:
test_amber_serial.sh: Test serial pmemd
test_amber_parallel.sh: Test pmemd.MPI
test_amber_cuda_serial.sh: Test pmemd.cuda
etc. The AmberTools component tests are in $AMBERHOME/AmberTools/test
and have similarly named scripts. DO_PARALLEL only needs to be set for
the 'parallel' scripts.
>
> ValueError: numpy.dtype has the wrong size, try recompiling
> Makefile:6: recipe for target 'test' failed
> make[1]: *** [test] Error 1
> make[1]: Leaving directory '/home/labime/amber14/AmberTools/test'
> Makefile:43: recipe for target 'test.serial' failed
> make: *** [test.serial] Error 2
I think we would need some more context around this error (i.e. the
text leading up to the error) to debug further.
-Dan
>
> Can you help me ???
> Thanks for attention.
> Wesley
> --
> Wesley Júnio Alves da Conceição
> Undergraduate Biophysics Student
> Laboratory for Molecular Modelling and Dynamics - Carlos Chagas Filho
> Biophysics Institute
> Laboratory for Structural Molecular Biology - Pharmacy Faculty
> Federal University of Rio de Janeiro
> Rio de Janeiro - RJ
> Brazil
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Mon Mar 07 2016 - 13:30:03 PST
