AMBER Archive (2002)

Subject: problems runing gibbs on a IBM SP2 machine

From: ramon kleber da rocha (rkrocha_at_lcc.ufmg.br)
Date: Fri Aug 09 2002 - 09:48:11 CDT

        Dear all,
        I have been tring to run the tests of gibbs and sander provided
wiht the amber7 code. After submit the job using loadleveler I got the
following error message:

INFO: 0031-364 Contacting LoadLeveler to query information for batch job
INFO: 0031-119 Host sp33.cenapad.ufmg.br allocated for task 0
INFO: 0031-119 Host sp34.cenapad.ufmg.br allocated for task 1
INFO: 0031-119 Host sp41.cenapad.ufmg.br allocated for task 2
INFO: 0031-119 Host sp39.cenapad.ufmg.br allocated for task 3
ATTENTION: 0031-148 Using redirected STDIN for program name resolution
ERROR: 0031-636 User requested or EOF termination of pm_command
egrep: 0652-033 Cannot open gibbs_f2.out.
egrep: 0652-033 Cannot open gibbs_f2.statistics.
INFO: 0031-364 Contacting LoadLeveler to query information for batch job
INFO: 0031-119 Host sp33.cenapad.ufmg.br allocated for task 0
INFO: 0031-119 Host sp34.cenapad.ufmg.br allocated for task 1
INFO: 0031-119 Host sp41.cenapad.ufmg.br allocated for task 2
INFO: 0031-119 Host sp39.cenapad.ufmg.br allocated for task 3
ATTENTION: 0031-148 Using redirected STDIN for program name resolution
ERROR: 0031-636 User requested or EOF termination of pm_command
egrep: 0652-033 Cannot open gibbs_t2.out.
egrep: 0652-033 Cannot open gibbs_t2.statistics.
INFO: 0031-364 Contacting LoadLeveler to query information for batch job
INFO: 0031-119 Host sp33.cenapad.ufmg.br allocated for task 0
INFO: 0031-119 Host sp34.cenapad.ufmg.br allocated for task 1
INFO: 0031-119 Host sp41.cenapad.ufmg.br allocated for task 2
INFO: 0031-119 Host sp39.cenapad.ufmg.br allocated for task 3
ATTENTION: 0031-148 Using redirected STDIN for program name resolution
ERROR: 0031-636 User requested or EOF termination of pm_command
egrep: 0652-033 Cannot open gibbs_d2.out.
egrep: 0652-033 Cannot open gibbs_d2.statistics.

        I dont know why but it seems that the files *.out and *.statistics
are not been made and then when I check the dif files they are just a copy
of the *.out.save and *.statistics.save files.
        Any help will be appreciated.
        Thank you in advance,

________________________________________________________________________________
Ramon Kleber da Rocha, MSc. VOICE +55-31-3499-5765
e-mail rkrocha_at_dedalus.lcc.ufmg.br FAX +55-31-3499-5700

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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