we would like to install sander (AMBER 6) on a Hitachi SR8000
Supercomputer. Does anybody have experience with compiling/adapting
sander to this platform and is there a Machine file available?
Here is Machine.hitachi_vec for the S-3600 from amber5 - perhaps
it will be useful. Hitachi may be able to advise too.
Bill Ross
#! /bin/csh -f
########################################################################
# #
# Copyright (c) 1986, 1991, 1995 #
# Regents of the University of California #
# #
# All Rights Reserved #
# #
# Machine Dependency Handling System #
# #
# Bill Ross ross_at_cgl.ucsf.edu #
# An extension of work of George Seibel #
# #
# Dependencies written by various authors. #
# #
# Permission to use, copy, modify, and distribute this software and #
# its documentation for any purpose and without fee is hereby #
# granted, provided that the above copyright notice appear in all #
# copies and that both that copyright notice and this permission #
# notice appear in supporting documentation, and that the name of #
# the University of California not be used in advertising or #
# publicity pertaining to distribution of the software without #
# specific, written prior permission. #
# #
# THE REGENTS OF THE UNIVERSITY OF CALIFORNIA DISCLAIM ALL #
# WARRANTIES WITH REGARD TO THIS SOFTWARE, INCLUDING ALL IMPLIED #
# WARRANTIES OF MERCHANTABILITY AND FITNESS, IN NO EVENT SHALL THE #
# UNIVERSITY OF CALIFORNIA BE LIABLE FOR ANY SPECIAL, INDIRECT OR #
# CONSEQUENTIAL DAMAGES OR ANY DAMAGES WHATSOEVER RESULTING FROM #
# LOSS OF USE, DATA OR PROFITS, WHETHER IN AN ACTION OF CONTRACT, #
# NEGLIGENCE OR OTHER TORTIOUS ACTION, ARISING OUT OF OR IN #
# CONNECTION WITH THE USE OR PERFORMANCE OF THIS SOFTWARE. #
# #
########################################################################
#
# Copy this file to amber4/src/MACHINE to install.
#
# This file is appropriate for: Hitachi S-3600 HI-OSF/1-MJ
#
# These aliases let us use the same command files for compilation
# on Unix systems with different names and/or flags for the fortran
# compiler. Environment variables set here specify the location
# of system-specific source and control the use of Integer*2.
# See install.doc: "Setting Up the Configuration File"
#
setenv MACHINE "Hitachi vector S-3600 HI-OSF/1-MJ"
setenv MACH HITACHI_VEC
setenv MACHINEFLAGS "-DREGNML -DEWALD -DHITACHI_GETARG"
setenv CPP "../hitachi_vec/hitachi_cpp"
# SYSDIR is the name of the system-specific source directory for makemake
setenv SYSDIR hitachi_vec
# COMPILER ALIASES:
# LOADER/LINKER:
setenv LOAD "f77"
setenv LOADLIB " "
# little or no optimization:
setenv L0 "f77 -c -W0,LANGLVL(DARG(L)),OPT(O(0)) -i,P"
# modest optimization (local scalar):
setenv L1 "f77 -c -W0,LANGLVL(DARG(L)),OPT(O(2)) -i,P"
# high scalar optimization (but not vectorization):
setenv L2 "f77 -c -W0,LANGLVL(DARG(L)),HAP(MODEL(20)),OPT(O(3)) -i,P"
# high optimization (may be vectorization, not parallelization):
setenv L3 "f77 -c -W0,LANGLVL(DARG(L)),HAP(MODEL(20)),OPT(O(4)) -i,P"
# ranlib, if it exists
setenv RANLIB "echo no ranlib"
Received on Thu Jun 07 2001 - 14:43:48 PDT
