AMBER Archive (2000)

Subject: Running tests on SP2 machine

From: ramon kleber da rocha (rkrocha_at_dedalus.lcc.ufmg.br)
Date: Tue Oct 31 2000 - 12:01:16 CST


        
        I am a new user of Amber 6 and we have just installed it on a IBM
SP2 machine. In order to verify if everything is alright, we are trying to
do the tests included in AMBERHOME/test directory, but we got problems
with it when I try 'make test.all':

        cd 4096wat; ./Run.pure_wat
        0509-037 System error - error data is: ../../exe/sander
        0509-023 Symbol pm_exit_value in /usr/lpp/ppe.poe/lib/libmpi.a is
not defined.
        0509-022 Cannot load library libmpi.a[mpipoe.o].
        0509-026 System error: Cannot run a file that does not have a
valid format.
  Program error
make: 1254-004 The error code from the last command is 1.
Stop.

        If I set 'setenv DO_PARALLEL mpirun -procs 4' I got:
        
        cd 4096wat; ./Run.pure_wat
mpirun [options] [<app>] [<prog> [<nodes>] [-- <args>]]
  Program error
make: 1254-004 The error code from the last command is 1.
Stop.

        And finally, if I set 'setenv DO_PARALLEL poe -procs 4' (this
was suggested by the SP2 administration staff) I got:
        
        cd 4096wat; ./Run.pure_wat
ERROR: 0031-808 Hostfile or pool number must be used to request nodes
  Program error
make: 1254-004 The error code from the last command is 1.
Stop.
        
        Besides, I would like to know if there is a way to generate the
executables and so, submit the tests-jobs using the tools provided by IBM,
for example, Loadleveler. Because if I do 'make test.all' the jobs are
started on line, and I would like to do this in background.
        Sorry if this question had already been posted. In time, are there
any server where one can find the questions and possible responses to
questions already posted?
        I will apreciate any hints about these problems.
        Regards.
________________________________________________________________________________
Ramon Kleber da Rocha, MSc. VOICE +55-31-499-5765
e-mail rkrocha_at_dedalus.lcc.ufmg.br FAX +55-31-499-5700

Laboratorio de QSAR e Modelagem Molecular
Nucleo de Estudos em Quimica Medicinal - NEQUIM - http://www.qui.ufmg.br/~nequim
Departamento de Quimica - Universidade Federal de Minas Gerais - (DQ/ICEx/UFMG)

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The World is my Fatherland, Science is my Religion. Christiaan Huygens 1629-1695
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