Re: AMBER: The parallel test fails while sander.MPI seems to be installed correctly

From: Gustavo Seabra <gustavo.seabra.gmail.com>
Date: Mon, 12 Mar 2007 09:23:50 -0400

Mostafa Sadighi wrote:
> Dear AMBER community,
> I have recently compiled serial and parallel versions of amber9 by
> using Intel compilers.
> ./configure -lam –p4 ifort_x86_64
> While there were no problems in running the serial test, the parallel
> test fails with the following error:
> After running lamboot and cd to $AMBERHOME/test
> # setenv DO_PARALLEL 'mpirun -np 2'
> # make test.parallel
> export TESTsander=/programs/amber9/exe/sander.MPI; make test.sander.BASIC
> make[1]: Entering directory `/programs/amber9/test'
> cd dmp; ./Run.dmp
> This test not set up for parallel
> cannot run in parallel with #residues < #pes
> cd adenine; ./Run.adenine
> This test not set up for parallel
> cannot run in parallel with #residues < #pes

Up to here, all is fine. These tests are supposed to give you this message.
> ==============================================================
> cd cytosine; ./Run.cytosine
> in.md: Permission denied.
> forrtl: severe (47): write to READONLY file, unit 6, file
This one seems lika a permissions problem. Are you sure you have write
permissions in all the test directories?

Gustavo.

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Received on Wed Mar 14 2007 - 06:07:15 PDT
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