AMBER Archive (2003)

Subject: LAM-MPI, Oscar and Amber compile Machine.g77_lam-mpi

From: Dr Chris L. Brown (C.L.Brown_at_sct.gu.edu.au)
Date: Wed Jan 22 2003 - 21:10:34 CST

Hi all

I am trying to compile Amber (specifically Sander) on our cluster. The
cluster is 4 x AMD 2000+ single nodes, 4 xPIII 800MHz dual nodes and one
dual AMD 2000+ head node & gigabit networking. The cluster has been
configured using Oscar 2.1 with the LAM/MPI switch set to use LAM/MPI as he
default MPI interface.

I have configured the amber install in the usual way to use the supplied
Machine.g77_lam-mpi script and have set-up the paths as below.

However the compiler bombs out in the first few lines with a Unmatched ".
error.
Sorry I am not particularly hot on compile scripts and would appreciate any
help

Cheers

Chris Brown

[root_at_grommit amber7]# pwd
> /usr/local/amber7
[root_at_grommit amber7]# setenv AMBERHOME /usr/local/amber7
[root_at_grommit amber7]# cd src
[root_at_grommit src]# ln -s -f Machines/Machine.g77_lam-mpi MACHINE
[root_at_grommit src]# make install
mkdir ../exe
mkdir: cannot create directory `../exe': File exists
make: [install] Error 1 (ignored)
cd lib; make install
make[1]: Entering directory `/usr/local/amber7/src/lib'
../Compile L2 -P new2oldparm.f
Unmatched ".
make[1]: *** [new2oldparm.o] Error 1
make[1]: Leaving directory `/usr/local/amber7/src/lib'
make: *** [install] Error 2
[root_at_grommit src]#

Machine.g77_lam-mpi

# set the LAM_HOME variable to match your machine:
setenv LAM_HOME /opt/lam-6.5.7

setenv LAM_INCLUDE $LAM_HOME/include
setenv LAM_LIBDIR $LAM_HOME/lib

setenv MACHINE "linux/FreeBSD PC"
setenv MACH Linux
setenv MACHINEFLAGS " -DMPI -DHAS_FTN_ERFC -DV_RAND "

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

setenv SYSDIR Machines/g77
 
setenv LOAD "hf77 -O6"
setenv LOADLIB "-lm "
 
setenv G77_COMPAT "-fno-globals -ff90 -funix-intrinsics-hide"
 
setenv L0 "hf77 -c -g"
 
setenv L1 "hf77 -c -O -m486 -malign-double -ffast-math
-fomit-frame-pointer $G77_COMPAT"
 
setenv L2 "hf77 -c -O3 -m486 -malign-double -ffast-math
-fomit-frame-pointer $G77_COMPAT"
 
setenv L3 "hf77 -c -O3 -m486 -malign-double -ffast-math
-fomit-frame-pointer $G77_COMPAT"
 
setenv RANLIB ranlib