AMBER Archive (2006)

Subject: AMBER: failure in testing amber8 parallel parts on IBM-SP4 machines

From: Rachel (comeonsos_at_googlemail.com)
Date: Fri Nov 24 2006 - 11:58:53 CST

Dear all,

When I use 'make test.sander' in $AMBERHOME/test for the amber8 parallel
parts on IBM_SP4 machines, I got the following error messages, I searched in
the mailing list, and found out that the should be related to "mpi
installation and compilation". The system I am using is a standard IBM's AIX
operating system. Can anyone suggest what is the reason for the errors and
how can I correctly test the parallel part? Thanks a lot.

######################################################################
        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
==============================================================
        cd cytosine; ./Run.cytosine
mpirun: Command not found.
  ./Run.cytosine: Program error
make: 1254-004 The error code from the last command is 1.

Stop.
bash-2.05a$ make test.sander
        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
==============================================================
        cd cytosine; ./Run.cytosine
mpirun: Command not found.
  ./Run.cytosine: Program error
make: 1254-004 The error code from the last command is 1.

Stop.
######################################################################

With my best regards,
Rachel

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu