AMBER Archive (2004)

Subject: RE: AMBER: A question on AMBER8 installation

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Wed Oct 13 2004 - 15:21:27 CDT

Dear Hwanyu,

> got a lot of errors like below (WcCreate.h errors and then
> WcActCB errors).
> In file included from WcCreateP.h:19,
> from WcActCB.c:30:
> WcCreate.h:225: warning: parameter names (without types) in
> function declaration

Ok, I have tried this out with a vanilla copy of Amber8 on a similar vanilla
copy of Fedora Core 2 (Intel P4 2.8, HT on, 1GB) with the following
compilers and options:

Option 1
--------
ifort version 8.0.046 (if you are using an earlier version than this I
suggest you upgrade as the early release intel 8.0 compilers had a lot of
bugs), gcc version 3.2.2 20030222, glibc 2.3.2-27.9.7, mkl-6.1
Xorg-x11-devel-6.7.0-2

setenv AMBERHOME /scratch1/amber8
setenv MKL_HOME /opt/intel/mkl-6.1
cd $AMBERHOME/src/
./configure -p4 -static -nopar ifort
make
make test

This compiles fine and all the tests pass.

Option 2
--------
Edit config.h created by configure and change all occurances of gcc and g++
to icc so that it uses the intel c compiler:

icc version 8.0.066 - Build 20040412Z

This works fine as well.

Option 3
--------
Run yum update on the fedora core 2 box to update everything to the latest
version as of 13th October 2004.

ifort version 8.0.046, gcc version 3.3.3 20040412, glibc 2.3.3-27, mkl-6.1
Xorg-x11-devel-6.7.0-9

setenv AMBERHOME /scratch1/amber8
setenv MKL_HOME /opt/intel/mkl-6.1
cd $AMBERHOME/src/
./configure -p4 -static -nopar ifort
make
make test

This works fine as well.

Note: I have not tried ifort8.1 since as far as I can tell this only
supports the 64 bit extended processors to which I do not have access at the
moment.

All the best
Ross

/\
\/
|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross_at_rosswalker.co.uk |
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