Hi All,
I have updated the configure and makefiles to build pmemd as part of the
regular AMBER build. I have tested this in parallel with gfortran and intel
with and without MKL but this is by no means exhaustive so I would
appreciate it if people can test this on their systems and see if it builds
okay. E.g. I have no access to Solaris or OSX.
If you just want to build pmemd then you can do:
cd $AMBERHOME/src
./configure gnu
cd pmemd
make -f Makefile.amber
All the old pmemd framework is still there and will remain for the time
being. Right now one can build serial and parallel using the configure
script. I have not added cuda support yet. Also note that serial pmemd is
built and called pmemd while the parallel version if called pmemd.MPI.
Any problems please let me know.
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 Mon Mar 01 2010 - 21:00:02 PST
