AMBER Archive (2000)

Subject: To Cray t3e users

From: Grzegorz Jezierski (gj_at_mol.uj.edu.pl)
Date: Thu Sep 21 2000 - 05:21:08 CDT

To all Cray t3e users:

I've had constant problems with compilation of sander (version 6) on a
Cray t3e with an mpt module.
I've modified Makefile, then tried to compile from .../amber6/src/, as
well as locally, from .../amber6/src/sander. However, the compilations
fail, even if I compile the whole package with Makefile unchanged.

I enclose:
- file 'Makefile', my modified Makefile
- file 'compile.log', the last log I got.
- file 'commands', my compilation commands.

Any help will be appreciated.

Thank you in advance, 

--
    **************************************
              Grzegorz Jezierski

            Biophysics Department
        Institute of Molecular Biology
           Jagiellonian University
      al. Mickiewicza 3, 31-120 Krakow,
                   Poland
      phone:  (48 12) 634 13 05 ext. 291
      e-mail: gj_at_mol.uj.edu.pl
    **************************************

cd /tmp1/gj/amber6/src
cp Machines/Machine.t3e_mpt MACHINE
setenv AMBERHOME /tmp1/gj/amber6/
limit filesize unlimited
make > & compile.log &

Attachment Converted: "c:\eudora\attach\Compile.log"
SHELL=/bin/sh

install:
        -mkdir ../exe
        cd sander; make install
        cd sander_classic; make install
        cd etc; make install
        cd interface/source; make install
        cd interface; ./install_ambint
        echo "Installation of Amber 6 complete"
        echo "Roar is not yet installed: follow the instructions in INSTALL"
        
clean::
        cd lib; make clean
        cd blas; make clean
        cd lapack; make clean
        cd sander; make clean
        cd sander_classic; make clean
        cd etc; make clean
        cd Machines/t3e; make clean
        cd interface/source; make clean
        cd interface/etc; make clean

test::
        cd ../test; make test.sander
        cd ../test; make test.sander_classic