AMBER Archive (2004)

Subject: RE: AMBER: amber7 test on osx

From: Ross Walker (
Date: Fri Oct 29 2004 - 13:38:31 CDT

Dear Knut

> i have compiled amber 7 on a mac g5 running osx 10.3 with the ibm xlc
> and xlf,
> and after using "setenv XLFRTEOPTS "namelist=old:xrf_messages=no""
> give the command "make test.sander" in the test directory. i get the
> following error:
> cd dmp; ./Run.dmp
> Program error
> make: *** [test.sander] Error 1

The problem is that for some reason on the Mac binaries compiled with xlf
still write to standard error even if the program completes successfully.
This is a real pain since the tests all contain the line:

$DO_PARALLEL $sander -O -i gbin -c eq1.x -o mdout || goto error

echo " ${0}: Program error"

The result is that even a successful completion goes to error and quits
without running dacdif. The 'solution' is to edit each of the
scripts and remove the || goto error. Then even if the program crashes
dacdif will be run. I know this is a bit of work. Perhaps a more conclusive
fix will appear at some point.

Note, I am not overley familiar with the Mac so it is possible that some
compiler flags etc. may be possible to remove this problem.

All the best

|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- |
| | PGP Key available on request |

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