AMBER Archive (2006)

Subject: AMBER: IA64 / Altix Amber 9 Intel Compiler Problems. l_fc_c_9.0.031

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Mon May 08 2006 - 13:13:11 CDT

Hi All,

Seeing as a number of people seem to be having problems with Amber 9 on SGI
Altix and other IA64 machines I thought I would post the following
information that myself and Roberto Gomperts have been able to glean...

First of all if you are trying to compile AMBER 9 on an IA64 machine using
version 9.0 of the Intel compilers up to and including:

F: Version 9.0 Build 20051201 Package ID: l_fc_c_9.0.031
C: Version 9.0 Build 20051201 Package ID: l_cc_c_9.0.030

You will have problems with Amber 9. The newer compilers .033 and later seem
to be okay as do the 8.1 compilers. Just to clarify here: THIS IS INTEL'S
FAULT - IT IS A BUG IN THEIR COMPILERS...

My advice is to try and obtain the latest version of the compilers from
http://premier.intel.com and use this to build Amber 9.

A "temporary" work around is to do the following:

cd $AMBERHOME/src/sander

Change line 484 of the file depend from

       $(FC) -c $(FOPTFLAGS) -o $@ _ene.f
to
       $(FC) -c $(FFLAGS) -o $@ _ene.f

Then do 'make clean' and then rebuild Amber.

All the best
Ross

/\
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|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk | PGP Key available on request |

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