AMBER Archive (2003)

Subject: RE: Amber7 on Opteron

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Thu Jul 10 2003 - 06:58:08 CDT

Dear Florian

Try this one. It is for g77 and lam mpi installed from redhat64 RPM.

----------------------------

#! /bin/csh -f

# COMPILER ALIASES:
#setenv VENDOR_BLAS yes
#setenv VENDOR_LAPACK yes

setenv LAM_INCLUDE /usr/include
setenv LAM_LIBDIR /usr/lib64

setenv MACHINE "linux/FreeBSD PC"
setenv MACH Linux
setenv MACHINEFLAGS " -DMPI -DRLE -DROWAT"

setenv CPP "/lib/cpp -traditional -I$LAM_INCLUDE"

setenv SYSDIR Machines/g77
 
setenv LOAD "mpif77 -O6 -m64"
setenv LOADLIB "-L/usr/lib64 -lm "
# /usr/local/ATLAS/lib/Linux_HAMMER64SSE2_2/liblapack.a \

setenv G77_COMPAT "-Wno-globals -fno-globals -ff90
-funix-intrinsics-hide"

# This appears to be quickest - Ross Walker 10-Jun-2003
setenv G77_OPT "-O3 -mmmx -msse -msse2 -m3dnow -funroll-loops -m64
-finline-functions"

# little or no optimization:
setenv L0 "mpif77 -c -g $G77_COMPAT"

# modest optimization (local scalar):
setenv L1 "mpif77 -c $G77_OPT $G77_COMPAT"

# high scalar optimization (but not vectorization):
setenv L2 "mpif77 -c $G77_OPT $G77_COMPAT"

# high optimization (may be vectorization, not parallelization):
setenv L3 "mpif77 -c $G77_OPT $G77_COMPAT"

# ranlib, if it exists
setenv RANLIB ranlib

----------------------------

All the best
Ross

> -----Original Message-----
> From: Florian Barth [mailto:bio_hazard_at_gmx.de]
> Sent: 10 July 2003 11:47
> To: amber_at_heimdal.compchem.ucsf.edu
> Subject: Amber7 on Opteron
>
>
> Hello,
>
> I just received an AMD Opteron testing system and would like run some
> amber benchmarks on it. Does anybody have a working MACHINE
> file or at
> least some hints how to install amber7 in 64 bit mode on this
> machine?
> Of course I will start with the 32 bit version but it would
> be nice to
> have some comparison with 64 bit.
> Thank you very much in advance.
>
> Regards
>
>
> Florian Barth
>
> ____________________________________
>
> Florian Barth
> Institute of Technical Biochemistry
> University of Stuttgart
> Allmandring 31
> 70569 Stuttgart
> Germany
> phone: +49-711-6853811
> fax: +49-711-6853196
> mailto:bio_hazard_at_gmx.de
> http://www.itb.uni-stuttgart.de
>
>
>