AMBER Archive (2000)

Subject: Re: amber6

From: jim caldwell (caldwell_at_heimdal.compchem.ucsf.edu)
Date: Thu Oct 12 2000 - 15:46:24 CDT

The attached Machine file works fine on our K-class
4 processor box.

jim

On Thu, 12 Oct 2000, Scott E. Boesch wrote:

> Hello,
>
> Has anyone compiled Amber 6 on a
> HP N-4000 Complex and if so what
> machine file should be used?
>
> Thanks,
>
> Scott
> --
>
> Scott E. Boesch
>
> 102 Chemistry Building Voice: (405)-325-3502
> Department of Chemistry Fax: (405)-325-6111
> The University of Oklahoma Email: sboesch_at_chemdept.chem.ou.edu
> Norman, Oklahoma 73019
>

----------------------------------------------------------------------------
James W. Caldwell (voice) 415-476-8603
Department of Pharmaceutical Chemistry (fax) 415-502-1411
Mail Stop 0446 (email) caldwell_at_heimdal.ucsf.edu
513 Parnassus Avenue (video) farbauti.compchem.ucsf.edu
University of California (netmeeting)
San Francisco, CA 94143-0446
----------------------------------------------------------------------------
#! /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 $AMBERHOME/src/MACHINE to install.
#
# This file is appropriate for HP f77
#
# 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 "HP UX"
# HP recognizes cray style C$DIR compiler directives
setenv MACH HP

setenv MACHINEFLAGS " -DCLINK_PLAIN -DMEM_ALLOC -DMPI"

# CPP is the cpp for this machine
setenv CPP /lib/cpp
setenv CC "cc -Ae "

# SYSDIR is the name of the system-specific source directory relative to src/*/
setenv SYSDIR Machines/hp

# COMPILER ALIASES:

# LOADER/LINKER:
setenv LOAD "mpif77 +T "
setenv LOADLIB " -lvec -lm "

# little or no optimization:
setenv L0 "mpif77 -c -g +T +E4"

# standard optimization :
setenv L1 "mpif77 -c -O +T +E4"

# about the same as L1
setenv L2 "mpif77 -c +O3 +Ovectorize +T +E4"

# highest optimization
setenv L3 "mpif77 -c +O3 +Ovectorize +T +E4"

# ranlib, if it exists
setenv RANLIB "echo ranlib not needed"