AMBER Archive (2000)

Subject: Re: Compilation of AMBER 6.0 on Origin 2000

From: Marios Philippopoulos (mphilip_at_sickkids.on.ca)
Date: Thu Feb 10 2000 - 11:51:07 CST


Just before your e-mail I used

AMBERHOME=/home/mphilip/progs/amber/amber6
export AMBERHOME

and then retried

    cd interface/source; make install
    cd interface; ./install_ambint

and it seems to have worked. Thanks for your help.

However, I am having another problem when I do

cd ../test; make test.sander_classic

Here is the last few lines of output:

==============================================
NMODE: find normal modes
diffing vibs.out.save with vibs.out
PASSED

NMODE: find Langevin modes
diffing lvibs.out.save with lvibs.out
PASSED
diffing lmode.head.save with lmode.head
PASSED

        cd ../test; make test.sander_classic
        cd prowat; ./Run.plast
/home/mphilip/progs/amber/amber6/test/prowat
diffing mdout.plast.save with mdout
possible FAILURE: check mdout.dif
        cd dhfr; ./Run.dhfr.classic
/home/mphilip/progs/amber/amber6/test/dhfr
  Program error
*** Error code 1 (bu21)
*** Error code 1 (bu21)
===============================================

All tests checked out fine except for test.sander_classic.
Any ideas on what the problem may be?

Thanks,

Marios Philippopoulos

dek_at_cgl.ucsf.edu wrote:

> >Origin 2000 machine. In the .bashrc file I had declared:
> >
> >set AMBERHOME=/home/mphilip/progs/amber/amber6
> >export AMBERHOME
>
> try condensing this into:
> export AMBERHOME=/home/mphilip/progs/amber/amber6
>
> let me know if that works

--
Marios Philippopoulos, PhD
Structural Biology and Biochemistry Programme
Hospital for Sick Children
555 University Avenue
Toronto Ontario Canada M5G 1X8

mphilip_at_sickkids.on.ca