AMBER Archive (2005)

Subject: RE: AMBER: fedora installation problem

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Wed Nov 02 2005 - 10:50:03 CST

Dear Simon,

> compiler) with fedora core 4 on a PIII system but when i

Be careful with PIII systems, make sure the config.h file in $AMBERHOME/src/
does not have -tpp7 defined anywhere. You should be okay if you didn't
specify -p4 when running configure.

> mkdir ../exe
> mkdir: cannot create directory `../exe': File exists
> make: [serial] Error 1 (ignored)

You can ignore this error, it is really just a warning.

> cd lib; make install
> make[1]: Entering directory `/software/amber8/src/lib'
> ifort -o new2oldparm new2oldparm.o nxtsec.o
> IPO link: can not find "("
> ifort: error: problem during multi-file optimization
> compilation (code 1)
> make[1]: *** [new2oldparm] Error 1
> make[1]: Leaving directory `/software/amber8/src/lib'
> make: *** [serial] Error 2

This is the strange bit... What version of ifort are you using? Have you
checked that it can compile simple programs correctly. You should also check
that you don't have ifort aliased in some way.

Try: unalias ifort

which ifort

This should point to the binary of ifort. Make sure you have sourced the
correct options file for ifort as well. E.g. source
/opt/intel_fc_80/bin/ifortvars.sh

and then try recompiling.

If this fails see if you can manually compile anything in the amber
installation. E.g. try new2oldparm with:

cd $AMBERHOME/src/lib
ifort -o new2oldparm new2oldparm.f nxtsec.f

This should produce the new2oldparm executable in src/lib. If you get some
errors then it implies there is something wrong with your ifort
installation.

All the best
Ross

/\
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|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel: +1 858 784 8889 | EMail:- ross_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk | PGP Key available on request |

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