Edit the sizes.h file, specifically the line:
parameter (MAXPR=9000000)
to a larger number and recompile.
Lynn Amon
Dept. of Bioengineering
University of Washington
>>>>> cpilger_at_oc30.uni-paderborn.de eloquently articulated this:
CP> Dear AMBER-Users,
CP> trying to get some idea of MD calculations, I worked in analogy to
CP> the Biotin/Streptavidin tutorial, generating similar input files
CP> for my protein/inhibitor complex.
CP> When I tried to start the calulation on my PC (sander_classic,
CP> Suse 7.0, Kernel 2.2.16, 256MB ram), it stopped with the following
CP> message in the output-file: "Npairs =13253296 Exceeds Max=
CP> 9000000". However, the same input files do not give any problems
CP> on an SGI Octane (R12k, 1GB ram).
CP> Thus I think the failure on my PC is due to some value, that has
CP> to be modified in the source code. Can somebody help me with that
CP> ? And, more generally, how much do the version for different
CP> architectures differ in terms of restrictions to the size of the
CP> system to be examined ?
CP> Ciao,
CP> Christian
CP> -----------------------------------------------------------------
CP> Dr. Christian Pilger
CP> Istituto di Strutturistica Chimica "Giordano Giacomello"
CP> C.N.R. - Sezione di Trieste Area Science Park - Basovizza Strada
CP> Statale 14 - Km. 163.5 I-34012 Trieste/Italy
CP> Tel.: +39+040+226881 Fax : +39+040+9221126 e-mail:
CP> cpilger_at_oc30.uni-paderborn.de
CP> -----------------------------------------------------------------
Received on Tue Feb 13 2001 - 11:39:20 PST
