AMBER Archive (2003)

Subject: Re: AMBER: MIPS R14000 and Machine-file

From: Sanjeev B.S. (sanjeev_at_mbu.iisc.ernet.in)
Date: Tue Sep 02 2003 - 07:48:33 CDT

I want to install amber7 in a biprocessor Octane2 SGI. To do that, I
need to modify
 Machine file, which does not include R14000 processors. Does anybody
know if the compiler
flags are different of those for R12000? 

---
	I used the following as MACHINE file for a multiprocessor SGI 
machine using mpich (which still uses SGI compilers). I encountered some 
problems with SGI specific Machine file (I do not recollect the exact 
details), especially related to running them through script. I found that 
this results in some 4% slowness, never-the-less works well.

Best wishes,
-Sanjeev

#! /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 file for SGI using the MPICH message passing library, compiled
#   with a -64 option (this seems to be the fastest; -32 and -n32 options
#   also work, but you must be consistent in compiling MPICH and AMBER.)
#
#  Your environment will need to have the following variables:
#

setenv MPI_HOME /usr/people/saras/mpich-1.2.4
setenv MPI_BIN $MPI_HOME/bin
setenv MPI_LIB $MPI_HOME/lib

setenv MACHINE "SGI"
setenv MACH IRIS
setenv MACHINEFLAGS "-DMEM_ALLOC -DHAS_FTN_ERFC -DMPI "
setenv MACHINEFLAGS "$MACHINEFLAGS -DRLE -DROWAT "
setenv SGIEXTRAS "-DBLAS1"
setenv CPP "/lib/cpp -I$MPI_HOME/include"
setenv VENDOR_LAPACK no

setenv FC $MPI_BIN/mpif90
setenv CC $MPI_BIN/mpicc

# SYSDIR is the name of the system-specific source directory for makemake
setenv SYSDIR Machines/standard

# SGI specific ``code'' to recognize the type of machine and its 
# environment, do not change...

#   Default Mips flag: -mips1
set MIPSFLAG = '-mips1'
set LFASTM = '-lfastm'
#   Default Blas library: -lblas
set BLASLIB = '-lblas'
#   Default MPFLAG: [blank]
set MPFLAG = "-MP:open_mp=ON"
#   Processor:
set WHICHIP = `uname -m | sed s/IP//`
@ WHICHIP += 0
#   OS Version:
set OSVERS = `uname -r`
set OSMAJOR = ${OSVERS:r}
set OSMAJOR = ${OSMAJOR:r}

# USER SPECIFIED VARIABLES
#   The compiled in maximum number of processors allowed...
set MAX_PRO = 1
# Power Series
if ( $WHICHIP == 7) set MAX_PRO = 8
# Challenge
if ( $WHICHIP == 19) set MAX_PRO = 36
# PowerChallenge
if ( $WHICHIP == 21) set MAX_PRO = 18
# PowerChallenge R10k
if ( $WHICHIP == 25) set MAX_PRO = 36

# CPU architecture.
set CPUARCH = ` hinv -t cpu | awk ' { print $3 }  ' | head -1 `

# Do we have the FFT libraries in libcomplib.sgimath.a?
if ( -e /usr/lib/libcomplib.sgimath.a | \
     -e /usr/lib/mips2/libcomplib.sgimath.a | \
     -e /usr/lib32/mips4/libcomplib.sgimath.a | \
     -e /usr/lib32/mips4/libcomplib.sgimath.so | \
     -e /usr/lib64/mips4/libcomplib.sgimath.a ) then
#     setenv SGIEXTRAS "$SGIEXTRAS -DSGIFFT"
     set BLASLIB = "$BLASLIB -lcomplib.sgimath "
endif

# Some (Optimization) flags
set O0 = -O0
set OLO = -O1
set OME = -O2
set OHI = -O2
set NFLAGS = (-Nl200 -Nn10000)
set NFLAGS = " "

# r10k machines
set MIPSFLAG = ""
setenv SGIEXTRAS "$SGIEXTRAS -DTFP -DCACHE_BLOCKSIZE=2500"
set OHI = -O3

if ( $CPUARCH == R5000 ) then
   set LFASTM = '-lm'
endif

setenv MACHINEFLAGS "$MACHINEFLAGS $SGIEXTRAS"

# COMPILER ALIASES:

set MIPSFLAG = '-mips4'

# LOADER/LINKER:
setenv LOAD "$FC $MIPSFLAG $MPFLAG "
setenv LOADLIB " $BLASLIB $LFASTM "
setenv CFLAGS " $MIPSFLAG "

setenv L0 "$FC -nocpp         $MIPSFLAG -c $O0 -old_rl $NFLAGS "
setenv L1 "$FC -nocpp         $MIPSFLAG -c $OLO -old_rl $NFLAGS "
setenv L2 "$FC -nocpp $MPFLAG $MIPSFLAG -c $OME -old_rl $NFLAGS"
setenv L3 "$FC -nocpp $MPFLAG $MIPSFLAG -c $OHI -old_rl $NFLAGS "

# ranlib, if it exists
setenv RANLIB "echo no ranlib"

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