Hi Xioling
> I am going to run sander_classsic (a module in AMBER6) with parallel.
> However, I can't perform parallel job, whereas sander works fine. Can
> sander_classic run parallel?
My understanding is that it should do. I haven't tried it myself but there
are plenty of MPI directives in the code. Are you certain you are trying to
use the parallel version (compiled with -DMPI)? Do you get an error message
if you do mpirun -np 4 sander_classic? If you run top what do you see?
Try doing a make clean in the amber src tree, verify you have linked MACHINE
to the parallel machine file and then cd to src/sander_classic and type
make. Copy the executable to $AMBERHOME/exe and then try it again.
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.rosswalker.co.uk |
|
http://www.rosswalker.co.uk/ | PGP Key available on request |
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Received on Mon Oct 25 2004 - 14:53:00 PDT
