Re: [AMBER] Problems with amber14 intallation in parallel

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 8 Dec 2014 09:47:26 -0500

On Mon, Dec 8, 2014 at 9:06 AM, Dailin Li <lidl.xmut.edu.cn> wrote:

> Hi Jason,
> Thank you for your reply. I have installed mpich-3.1.3 in my own
> directory (/home/lidl/opt) with gnu compiler from scratch.
> [lidl.HPC ~]$ mpif90 -show
> gfortran -I/home/lidl/opt/mpich-3.1.3-installed/include
> -I/home/lidl/opt/mpich-3.1.3-installed/include
> -L/home/lidl/opt/mpich-3.1.3-installed/lib -lmpifort -Wl,-rpath
> -Wl,/home/lidl/opt/mpich-3.1.3-installed/lib -Wl,--enable-new-dtags -lmpi
> [lidl.HPC ~]$ mpicc -show
> gcc -I/home/lidl/opt/mpich-3.1.3-installed/include
> -L/home/lidl/opt/mpich-3.1.3-installed/lib -Wl,-rpath
> -Wl,/home/lidl/opt/mpich-3.1.3-installed/lib -Wl,--enable-new-dtags -lmpi
> Up to now, './configure -mpi gnu' and 'make install' commands have been
> performed and finished normally. However, errors occurred when I tried to
> make test.parallel. I will try if the command 'configure_mpich' works.
>

​If the installation succeeded, then I suspect that you installed the MPI
correctly.​ I'm not sure why your test is failing (you didn't give an
error messages). Things to check: are you using the mpirun or mpiexec
script from the same MPI installation you built to your home directory?

Are all of the tests failing? Or just a couple? Are you allowed to run
MPI jobs where you are trying to run the parallel tests?

HTH,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Dec 08 2014 - 07:00:03 PST
Custom Search