Hello,
According to the Makefile in the test directory, the only logical
explanation is that AMBERHOME was not set for your shell session. Running
"make test.parallel.MM" first executes the lines
test.sander.BASIC.MPI:
-export TESTsander=$(AMBERHOME)/exe/sander.MPI; $(MAKE) -k
test.sander.BASIC
in the Makefile. If AMBERHOME has no definition, you will get
TESTsander=/exe/sander.MPI, which is the error you're getting. See below
for my solution.
On Sat, May 1, 2010 at 10:02 AM, jaya c.jose <jayacjose.gmail.com> wrote:
> Dear all,
>
> I tried to install AMBER 10 in centos.I had installed Amber Tools1.2 at
> first and followed the amber10 user's manual.
>
>
> To test parallel programs I have given the following commands
>
> cd $AMBERHOME/test
> set DO_PARALLEL 'mpirun -np 4'
> export DO_PARALLEL
> make test.parallel.MM < /dev/null
>
>
> Then it showed the following massages
>
>
> export TESTsander=/exe/sander.MPI; make test.sander.BASIC
> make[1]: Entering directory `/storage/home/nsp/AMBER/amber10/test'
> cd cytosine && ./Run.cytosine
> /exe/sander.MPI: Command not found.
> ./Run.cytosine: Program error
> make[1]: *** [test.sander.BASIC] Error 1
> make[1]: Leaving directory `/storage/home/nsp/AMBER/amber10/test'
> make: *** [test.sander.BASIC.MPI] Error 2
>
>
>
> In the first step I set up the environment variables in the .bashrc as
> follows
>
>
> AMBERHOME=/storage/home/nsp/AMBER/amber10
>
You must export this variable like you do to PATH below. Otherwise it does
not become part of the environment. This should fix your problem.
Good luck!
Jason
> export PATH=$PATH:/storage/home/nsp/AMBER/amber10/bin
> export PATH=$PATH:$AMBERHOME/exe
>
>
> How can I resolve this problem.
>
> With Regards
>
> Jaya
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Sat May 01 2010 - 07:30:05 PDT
