Hi All,
There are issues with the clean target for AMBER in the release candidate:
clean:: netcdf_clean
cd lib && $(MAKE) clean
cd addles && $(MAKE) clean
cd sander && $(MAKE) clean
cd sqm && $(MAKE) clean
cd nmr_aux && $(MAKE) clean
cd nmode && $(MAKE) clean
cd mm_pbsa && $(MAKE) clean
cd pbsa && $(MAKE) clean
cd mmpbsa_py && $(MAKE) clean
(cd rism && $(MAKE) clean)
(cd lapack && $(MAKE) clean)
(cd blas && $(MAKE) clean)
(cd arpack && $(MAKE) clean)
-(cd pmemd && $(MAKE) clean)
-(cd fftw-2.1.5 && $(MAKE) clean)
Note the cd sqm which returns:
cd sqm && make clean
/bin/sh: line 0: cd: sqm: No such file or directory
make: *** [clean] Error 1
The net result is that nothing beyond this gets cleaned. However, I also
think it is dangerous to not be cleaning sqm when one things they are inside
the amber11 directory, as opposed to AmberTools. Should this read something
like:
cd ../AmberTools/src/sqm $$ $(MAKE) clean
or should the Amber11/src/ clean target somehow depend upon a full clean of
AmberTools?
Similar problems exist with pbsa and rism and lapack and blas and arpack and
fftw-2.1.5.
There is also some confusion with messages produced by the configure script.
For example:
-----------
The configuration file, config.h, was successfully created.
The next step is to type 'make cuda'
ln: `./sander': File exists
-----------
Firstly running configure more than once gives the error when linking in
sander. Secondly with cuda it says the next step is to make cuda. Should
this be updated to
The next step is to type 'cd ../../src; make cuda'?
All the best
Ross
/\
\/
|\oss Walker
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk |
http://www.wmd-lab.org/ |
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Received on Tue Mar 30 2010 - 20:00:10 PDT
