AMBER Archive (2002)

Subject: amber 60 on Unicos Cray

From: Cezary Czaplewski (czarek_at_sun1.chem.univ.gda.pl)
Date: Mon Mar 04 2002 - 11:56:36 CST

Dear all,

did anybody compiled and run successfully parallel sander_classic from
Amber 60 on Unicos Cray ? I compiled amber 6.0 on CRAY SV1 using modified
Machine.unicos_mp but it crashes even for small test systems (PROWAT
benchmark) with operand range error :

Operand range error

 Beginning of Traceback:
  Interrupt at address 315466d in routine 'RESNBA'.
  Called from line 609 (address 150666c) in routine 'FORCE'.
  Called from line 914 (address 202453d) in routine 'RUNMD'.
  Called from line 975 (address 2624c) in routine 'SANDER'.
  Called from line 350 (address 607155c) in routine '$START$'.
 End of Traceback.
Operand range error (core dumped)

                        czarek
 
----------------------------------------------------------------------
                     Dr. Cezary Czaplewski
Department of Chemistry Box 94 Baker Lab of Chemistry
University of Gdansk Cornell University
Sobieskiego 18, 80-952 Gdansk, Poland Ithaca, NY 14853
phone: +48 58 3450 361 phone: (607) 255-0556
fax: +48 58 341-0357 fax: (607) 255-4137
e-mail: czarek_at_sun1.chem.univ.gda.pl e-mail: cc178_at_cornell.edu
----------------------------------------------------------------------