Dear Navanath,
Such questions should go to the AMBER mailing list where I am copying this.
See
http://lists.ambermd.org/ for signup details.
The procedure you use below is somewhat confused. I would do the following.
>From a clean directory.
The following assumes you are installing in your home directory.
Step i) Edit users (or /etc/bashrc) and add:
export AMBERHOME=~/amber10/
export PATH=$AMBERHOME/exe/:$PATH
ii) cd ~
Copy AmberTools1.2.tar.bz2 to this directory
Copy Amber10.tar.bz2 to this directory
iii) tar xvjf AmberTools-1.2.tar.bz2
tar xvjf Amber10.tar.bz2
iv) Patch the source directory with bugfixes.
wget
http://ambermd.org/bugfixes/AmberTools/1.2/bugfix.all
patch -p0 <bugfix.all
rm -f bugfix.all
wget
http://ambermd.org/bugfixes/10.0/bugfix.all
patch -p0 <bugfix.all
v) cd src
vi) ./configure_at gcc
vii) make -f Makefile_at
viii) cd $AMBERHOME/test
iix) make -f Makefile_at test
check TEST_FAILURES.diff
ix) cd $AMBERHOME/src/
x) ./configure_amber gfortan
xi) make serial
xii) cd $AMBERHOME/test/
xiii) make test
xiv) make test.QMMM
Same as above - check TEST_FAILURES.diff
Good luck,
Ross
From: Navanath Kumbhar [mailto:nmkumbhar.gmail.com]
Sent: Saturday, March 13, 2010 8:08 AM
To: ross.rosswalker.co.uk
Subject: About amber10 installation
Dear Sir,
I have tried to install amber10 on Redhat5.
I have followed all procedure from INSTALL as given below
tar xvjf AmberTools -1[1].2.tar.bz2
tar xvjf Amber10[1].tar.bz2
set path for bash shell
1. AMBERHOME=/usr/local/amber10
export AMBERHOME
2. cd $AMBERHOME/src
./configure_at gcc
3. make -f Makefile_at
4. cd $AMBERHOME/test:
make -f Makefile_at test
5. set path =/usr/local/amber10/exe /usr/local/amber10/bin (executable
path- from ambertool.pdf)
6.cd $AMBERHOME
patch -p0 -N -r patch-rejects < bugfix.all
7. cd $AMBERHOME/src
./configure_amber gfortran
i had edit configure_amber.h
AMBERBUILDFLAGS= "-I/usr/local/amber10/include"
LOCALFLAGS="L/usr/local/amer10/lib"
8.cd $AMBERHOME/exe
make serial
make: *** No rule to make target 'serial. stop.
So please suggest me how edit the configure.h file and how to run make
serial commands.
I am eagerly waiting for your reply.
Thanking You,
Navanath Kumbhar
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Received on Sat Mar 13 2010 - 10:30:03 PST
