Hi Sergio,
> OK, so the current version on the Intel site is 10. I
> downloaded that
> compiler (ifort) and tried the installation without linking
> to the MKL
> library.
> The same error occurs along with some new messages:
So let me get this correct - everything works except the change_target.ntr
test case is that right?
Could you verify if it works in serial - I.e. without DO_PARALLEL set and
using regular 'sander'
I.e. see if it is only when you run it in parallel with 2 cpus that it
segfaults.
Next can you try compiling without optimization and with debugging turned
on.
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
only in parallel that it fails). Then hopefully it might show a traceback as
to where it segfaulted.
All the best
Ross
/\
\/
|\oss Walker
| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be read every day, and should not be used for urgent or sensitive issues.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jun 27 2007 - 06:07:42 PDT
