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
/\
\/
|\oss Walker
| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
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Received on Tue May 09 2006 - 17:06:51 PDT
