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AMBER Archive (2007)Subject: RE: AMBER: sander MPI fails included tests
From: Ross Walker (ross_at_rosswalker.co.uk)
Hi Sergio,
> OK, so the current version on the Intel site is 10. I
So let me get this correct - everything works except the change_target.ntr
Could you verify if it works in serial - I.e. without DO_PARALLEL set and
I.e. see if it is only when you run it in parallel with 2 cpus that it
Next can you try compiling without optimization and with debugging turned
on the load line in config.h add -g
change the FFLAGS and FOPTFLAGS to read:
-w95 -g $(LOCALFLAGS) $(AMBERBUILDFLAGS)
Then make clean, make (if the serial one fails.) or make parallel (if it is
All the best
/\
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