AMBER Archive (2003)

Subject: Amber on SGI with Itanium compilers for linux (fwd)

From: Sanjeev B.S. (sanjeev_at_mbu.iisc.ernet.in)
Date: Tue May 27 2003 - 07:21:20 CDT

Hello,
        Could anyone share with me the MACHINE file for compiling amber7
for parallel processer SGI with Itanium specific intel compilers running
on linux? I have been trying with variants of Machine.ifc_mpi, but with no
success. I am attaching the Machine file I am presently using and in PS
the error I face. (It doesnot seem to be related to MPI itself.)

Thanks in advance,
-Sanjeev

mdfil.o: In function `mdfil_':
mdfil.o(.text+0x3d2): undefined reference to `iargc_'
mdfil.o(.text+0x4a2): undefined reference to `getarg_'
mdfil.o(.text+0x762): undefined reference to `getarg_'
mdfil.o(.text+0x8f2): undefined reference to `getarg_'
mdfil.o(.text+0xec2): undefined reference to `getarg_'
mdfil.o(.text+0x1162): undefined reference to `getarg_'
mdfil.o(.text+0x11a2): more undefined references to `getarg_' follow
make[1]: *** [sander] Error 1
make[1]: Leaving directory `/home/amber/amber7/src/sander'
make: *** [install] Error 2

MACHINE file:
#! /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. #
# #
########################################################################

#
# Machine dependencies written by George Seibel for Amber 3.0 Rev A
#
# Copy this file to amber5/src/MACHINE to install.
#
# This file is appropriate for: Sun SPARCstation using the f77-1.3 or 1.4
# compiler.
#
# 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"
#
#
# IF PROGRAMS CRASH, try adding '-fast' to L0-L3
#

setenv MACHINE "Sun SPARC"
setenv MACH SPARC
# Note - sparc has a fortran erfc routine, but it yields
# different results than others (different function)
# so -DHAS_FTN_ERFC is omitted
setenv MACHINEFLAGS "-DSIZE_NMR -DISTAR2 -DMEM_ALLOC "

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

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

# COMPILER ALIASES:

# LOADER/LINKER:
#setenv LOAD "f77 -Bstatic -g "
setenv LOAD "f77 -g "
setenv LOADLIB " -lm"

# little or no optimization:
setenv L0 "f77 -c -Nl50 -g "

# modest optimization (local scalar):
setenv L1 "f77 -c -Nl50 -g "

# high scalar optimization (but not vectorization):
setenv L2 "f77 -c -Nl50 -g "

# high optimization (may be vectorization, not parallelization):
setenv L3 "f77 -c -Nl50 -g "

# ranlib, if it exists
setenv RANLIB ranlib

# spasms configuration
#SPASMS MACHINE.sparc_spasms_config
#SPASMS unix
#SPASMS n390
#SPASMS large